 Entering Gaussian System, Link 0=g16
 Input=36d_RhEn3-ob3_STD_B3LYPDBJ-def2TZVPDr.in
 Output=36d_RhEn3-ob3_STD_B3LYPDBJ-def2TZVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2TZVPD.gbs
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            ****
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               5253.2344745              0.95310527769D-02
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            S    8   1.00
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               5885.6618668              0.93943844255D-02
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                194.57803492             0.29004470954
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                 58.840299883           -0.11547027448
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            S    1   1.00
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                197.93040142             0.20076506686D-01
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            D    1   1.00
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            -Sc     0
            S    8   1.00
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              28723.8503630              0.17890329946D-02
               6537.0116490              0.92990401140D-02
               1850.3097171              0.37739438011D-01
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                216.17324766             0.28814821470
                 83.712517880            0.40517543099
                 32.908707189            0.20566019623
            S    4   1.00
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                 65.128920139           -0.11570158142
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                224.09699732             0.19742967060D-01
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            -Ti     0
            S    8   1.00
             211575.6902500              0.23318151011D-03
              31714.9450580              0.18079690851D-02
               7217.5476543              0.93984311352D-02
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            S    4   1.00
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            -V     0
            S    8   1.00
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              34828.8411700              0.17888178962D-02
               7926.5448691              0.92992490131D-02
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                262.32219631             0.28963508811
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                 40.064784617            0.21113610858
            S    4   1.00
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                280.23075192             0.19643454466D-01
                 89.643627137            0.90796949190D-01
                 33.242411253            0.25650768222
                 13.144514452            0.40815393750
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              38131.7970540              0.18142601800D-02
               8675.2930607              0.94363925721D-02
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                286.90021489             0.29489696029
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                309.25311441             0.19544041017D-01
                 98.996273963            0.90651794553D-01
                 36.756916451            0.25699279154
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            -Mn     0
            S    8   1.00
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              41550.7698900              0.17707650375D-02
               9455.9700152              0.92077209994D-02
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                312.98306420             0.28824392499
                121.44454051             0.41041600847
                 47.922598829            0.21372375145
            S    4   1.00
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                342.06551197             0.19369286864D-01
                109.58400891             0.90236108988D-01
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              10262.5163170              0.91927083490D-02
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                339.87832894             0.28818881468
                131.94425588             0.41126612677
                 52.111494077            0.21518583573
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                101.92332739            -0.11683089050
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                  6.8840675801           0.53601640182
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                375.38006499             0.19253154755D-01
                120.31816501             0.90021836536D-01
                 44.788749031            0.25798172356
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            S    8   1.00
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              48839.6364530              0.17499397533D-02
              11114.9373070              0.91003134097D-02
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                368.02508816             0.28598731649
                142.91229205             0.40908312004
                 56.482649209            0.21500145739
            S    4   1.00
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                409.91750438             0.19382999967D-01
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            ****
            -Ni     0
            S    8   1.00
             351535.7293500              0.22529386884D-03
              52695.8092830              0.17468616223D-02
              11992.4682930              0.90849992136D-02
               3394.5776689              0.36940748447D-01
               1105.3594585              0.12032819950
                397.14677769             0.28596715057
                154.27542974             0.40983020196
                 61.018723780            0.21620642851
            S    4   1.00
                384.45559739            -0.24651279268D-01
                119.04879199            -0.11658505277
                 19.137012223            0.54864126676
                  8.1526718562           0.52640051122
            S    2   1.00
                 12.579408642           -0.22797884293
                  2.0870866081           0.70703738215
            S    1   1.00
                  0.86432568555          1.0000000
            S    1   1.00
                  0.13283169217          1.0000000
            S    1   1.00
                  0.46845327726D-01      1.0000000
            P    6   1.00
               1883.0907486              0.23748258443D-02
                445.95155320             0.19289457172D-01
                143.08430815             0.90718211507D-01
                 53.372920722            0.26181414117
                 21.321919357            0.42309149832
                  8.6643561994           0.24641686015
            P    3   1.00
                 34.144255211           -0.29677129163D-01
                  4.7122455921           0.55616824096
                  1.8709231845           0.96357766460
            P    1   1.00
                  0.70370016267          1.0000000
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.36887339850D-01      1.0000000
            D    4   1.00
                 74.591603465            0.12077454672D-01
                 21.590632752            0.74637262154D-01
                  7.6246142580           0.23236775502
                  2.8632206762           0.39042651680
            D    1   1.00
                  1.0311063388            .39509498921
            D    1   1.00
                  0.33060760691           .21138769167
            D    1   1.00
                  0.1060000              1.0000000
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    8   1.00
             377518.7992300              0.22811766128D-03
              56589.9843110              0.17688035931D-02
              12878.7117060              0.91993460227D-02
               3645.3752143              0.37411016434D-01
               1187.0072945              0.12189873737
                426.46421902             0.28983900714
                165.70660164             0.41531872174
                 65.598942707            0.21905799287
            S    4   1.00
                414.41265811            -0.24682525053D-01
                128.32056039            -0.11716827406
                 20.622089750            0.55301315941
                  8.7821226045           0.52242718609
            S    2   1.00
                 13.741372006           -0.22736061821
                  2.2431246833           0.71761210873
            S    1   1.00
                  0.89370549079          1.0000000
            S    1   1.00
                  0.10836699534          1.0000000
            S    1   1.00
                  0.38806178058D-01      1.0000000
            P    6   1.00
               2034.7596692              0.23524822298D-02
                481.90468106             0.19134070751D-01
                154.67482963             0.90171105278D-01
                 57.740576969            0.26063284735
                 23.099052811            0.42093485770
                  9.3882478591           0.24344615121
            P    3   1.00
                 37.596171210           -0.28991094530D-01
                  5.1240690810           0.54919083831
                  2.0119996085           0.93793330488
            P    1   1.00
                  0.73860686002          1.0000000
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.34015997020D-01      1.0000000
            D    4   1.00
                 74.129460637            0.14363216676D-01
                 21.359842587            0.86628177096D-01
                  7.4995240537           0.25631430541
                  2.7601394169           0.40374062368
            D    1   1.00
                  0.95362061236           .39427042447
            D    1   1.00
                  0.28420862520           .23091146816
            D    1   1.00
                  0.0850000              1.0000000
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    8   1.00
             405924.3102800              0.22442017483D-03
              60846.9557350              0.17402086626D-02
              13847.3430920              0.90513339565D-02
               3919.6158551              0.36817341445D-01
               1276.3594167              0.12004850256
                458.67254435             0.28576057621
                178.28725246             0.41087462062
                 70.612192837            0.21816962456
            S    4   1.00
                443.88077950            -0.24934274984D-01
                137.55875267            -0.11817955766
                 22.268083479            0.55367318468
                  9.5217310606           0.52628934936
            S    2   1.00
                 14.874114065           -0.22929955254
                  2.4647517612           0.71135484742
            S    1   1.00
                  1.0113272238           1.0000000
            S    1   1.00
                  0.14919852089          1.0000000
            S    1   1.00
                  0.51441872981D-01      1.0000000
            P    6   1.00
               2205.3508534              0.23356240448D-02
                522.35300699             0.19031022634D-01
                167.73055542             0.89955758675D-01
                 62.670045373            0.26113248631
                 25.109749456            0.42348448173
                 10.225142681            0.24618926885
            P    3   1.00
                 40.713442521           -0.30029667592D-01
                  5.6247090696           0.55575254864
                  2.2279949116           0.95581013442
            P    1   1.00
                  0.83354741691          1.0000000
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.0477690              1.0000000
            P    1   1.00
                  0.21234841485D-01      1.0000000
            D    4   1.00
                 88.554315311            0.12728170015D-01
                 25.721525557            0.79394499843D-01
                  9.1278367624           0.24491506805
                  3.4312364064           0.40390526479
            D    1   1.00
                  1.2308920645            .40158491145
            D    1   1.00
                  0.39031845112           .21579805034
            D    1   1.00
                  0.1240000              1.0000000
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    8   1.00
             435548.6625400              0.23646329650D-03
              65289.5890310              0.18335271776D-02
              14858.7842560              0.95371863081D-02
               4205.9734729              0.38803412468D-01
               1369.6416431              0.12661604848
                492.30348905             0.30175310292
                191.41923233             0.43543934218
                 75.840558665            0.23282363780
            S    4   1.00
                474.30810613            -0.26743707958D-01
                147.10297560            -0.12654657542
                 23.982599435            0.58840346839
                 10.298230094            0.56324271589
            S    2   1.00
                 16.050381430           -0.24516439508
                  2.6988468784           0.74578049593
            S    1   1.00
                  1.1428588736           1.0000000
            S    1   1.00
                  0.20217652251          1.0000000
            S    1   1.00
                  0.71980152032D-01      1.0000000
            S    1   1.00
                  0.30102057284D-01      1.0000000
            P    6   1.00
               2432.0171070              0.22434065928D-02
                576.12049582             0.18342265336D-01
                185.11584354             0.87279697167D-01
                 69.246572556            0.25684868351
                 27.818107777            0.42398378107
                 11.420229938            0.25701340043
            P    3   1.00
                 42.819661530           -0.19326519119D-01
                  6.3885901000           0.31571386917
                  2.6698993326           0.57617792822
            P    1   1.00
                  1.0781783834           1.0000000
            P    1   1.00
                  0.22796559371          1.0000000
            P    1   1.00
                  0.62836234833D-01      1.0000000
            D    5   1.00
                103.92331829             0.11464613652D-01
                 30.371094389            0.73625747383D-01
                 10.872078097            0.23505107382
                  4.1549137954           0.40318563513
                  1.5345659145           0.40824748152
            D    1   1.00
                  0.51114263830           .20502439263
            D    1   1.00
                  0.30622000             1.0000000
            D    1   1.00
                  0.11391309             1.0000000
            D    1   1.00
                  0.42871691594D-01      1.0000000
            F    1   1.00
                  0.30996095             1.0000000
            ****
            -Ge     0
            S    8   1.00
             466115.0059200              0.22487264660D-03
              69875.4207620              0.17435426729D-02
              15903.2767160              0.90691482206D-02
               4501.8233453              0.36906174685D-01
               1466.0570924              0.12050167907
                527.07841728             0.28748641703
                205.00395074             0.41622321885
                 81.251596065            0.22397845695
            S    4   1.00
                505.74661282            -0.25184609291D-01
                156.96593744            -0.11898929721
                 25.761448176            0.54930135870
                 11.106654687            0.52939309129
            S    2   1.00
                 17.272059104           -0.22854595728
                  2.9438289048           0.68377930317
            S    1   1.00
                  1.2839164916           1.0000000
            S    1   1.00
                  0.25873337445          1.0000000
            S    1   1.00
                  0.93524913177D-01      1.0000000
            S    1   1.00
                  0.41984351140D-01      1.0000000
            P    6   1.00
               2633.9346241              0.22143925310D-02
                624.00161628             0.18140899141D-01
                200.58528404             0.86632184922D-01
                 75.097081525            0.25649020592
                 30.214388474            0.42658611262
                 12.440087567            0.26200527313
            P    3   1.00
                 45.981316002           -0.20321767678D-01
                  6.9945654416           0.32013744527
                  2.9686001327           0.59051014555
            P    1   1.00
                  1.2320988495           1.0000000
            P    1   1.00
                  0.28981614974          1.0000000
            P    1   1.00
                  0.85564606447D-01      1.0000000
            D    5   1.00
                119.44887581             0.10586544521D-01
                 35.062915293            0.69601280945D-01
                 12.636924529            0.22807035287
                  4.8888672922           0.40301067220
                  1.8453195392           0.41304847015
            D    1   1.00
                  0.63571158892           .19639209740
            D    1   1.00
                  0.35492132             1.0000000
            D    1   1.00
                  0.13155709             1.0000000
            D    1   1.00
                  0.56134940012D-01      1.0000000
            F    1   1.00
                  0.36210645             1.0000000
            ****
            -As     0
            S    8   1.00
             498032.4215800              0.22740196900D-03
              74656.8687430              0.17632816413D-02
              16990.9600040              0.91728040381D-02
               4809.6200321              0.37337829344D-01
               1566.2887055              0.12199536117
                563.21360499             0.29137475324
                219.11179978             0.42326351479
                 86.866061030            0.22921464278
            S    4   1.00
                538.19512479            -0.25254197297D-01
                167.14850224            -0.11915461115
                 27.605517159            0.54628495980
                 11.947858521            0.53001520976
            S    2   1.00
                 18.538023133           -0.23479188136
                  3.2018985739           0.69167053428
            S    1   1.00
                  1.4356522077           1.0000000
            S    1   1.00
                  0.31837805200          1.0000000
            S    1   1.00
                  0.11622632186          1.0000000
            S    1   1.00
                  0.50450200093D-01      1.0000000
            P    6   1.00
               2678.9421546              0.23318955287D-02
                634.61765840             0.19042149977D-01
                203.93967606             0.90229744913D-01
                 76.323890369            0.26169037693
                 30.664124943            0.41857168155
                 12.505056732            0.23447830190
            P    4   1.00
                 49.256229549           -0.21235539870D-01
                  7.7274891466           0.30470206668
                  3.5410493476           0.52888373107
                  1.6985585501           0.37272250955
            P    1   1.00
                  0.76848071044          1.0000000
            P    1   1.00
                  0.30050823260          1.0000000
            P    1   1.00
                  0.98190639437D-01      1.0000000
            D    5   1.00
                135.33289305             0.99291144106D-02
                 39.860212744            0.66568843496D-01
                 14.446428359            0.22275768307
                  5.6432900356           0.40309224382
                  2.1668188623           0.41671667946
            D    1   1.00
                  0.76514970569           .18935502288
            D    1   1.00
                  0.42434653             1.0000000
            D    1   1.00
                  0.16331527             1.0000000
            D    1   1.00
                  0.67575334568D-01      1.0000000
            F    1   1.00
                  0.43271941             1.0000000
            ****
            -Se     0
            S    8   1.00
             531071.6669600              0.24108973168D-03
              79603.0441170              0.18696431441D-02
              18115.8442400              0.97271616536D-02
               5127.8923194              0.39604793031D-01
               1669.9130839              0.12948855136
                600.57534527             0.30959437289
                233.70021247             0.45115769216
                 92.672443932            0.24579189033
            S    4   1.00
                571.57513675            -0.26895707881D-01
                177.63686375            -0.12670989353
                 29.517767052            0.57699001719
                 12.824399795            0.56369075408
            S    2   1.00
                 19.848235841           -0.25132415534
                  3.4744018486           0.72905416980
            S    1   1.00
                  1.5988910849           1.0000000
            S    1   1.00
                  0.38333469387          1.0000000
            S    1   1.00
                  0.14049742459          1.0000000
            S    1   1.00
                  0.45053485505D-01      1.0000000
            P    6   1.00
               2815.3500566              0.25569026854D-02
                666.92558298             0.20874026901D-01
                214.34213188             0.98772096250D-01
                 80.246687942            0.28471821221
                 32.251081288            0.45003584934
                 13.106432562            0.24416091055
            P    4   1.00
                 53.366108516           -0.21558456273D-01
                  8.1827777195           0.32662310638
                  3.6239945672           0.57740499319
                  1.6341591401           0.34301320826
            P    1   1.00
                  0.58418320228          1.0000000
            P    1   1.00
                  0.23966269279          1.0000000
            P    1   1.00
                  0.88785134803D-01      1.0000000
            P    1   1.00
                  0.26632920997D-01      1.0000000
            D    5   1.00
                151.82910279             0.93970276988D-02
                 44.839992523            0.64086503991D-01
                 16.328999510            0.21834238004
                  6.4305057612           0.40314789649
                  2.5048025169           0.41966491490
            D    1   1.00
                  0.90271148434           .18366663432
            D    1   1.00
                  0.47683613             1.0000000
            D    1   1.00
                  0.18535160             1.0000000
            D    1   1.00
                  0.64254758023D-01      1.0000000
            F    1   1.00
                  0.48866905             1.0000000
            ****
            -Br     0
            S    8   1.00
             565073.2525600              0.23660314690D-03
              84701.7231790              0.18348332508D-02
              19276.2719000              0.95465849860D-02
               5456.4284576              0.38877142153D-01
               1776.9503500              0.12718314231
                639.19398276             0.30437662191
                248.78823961             0.44490940497
                 98.678305494            0.24381643058
            S    4   1.00
                606.07824568            -0.26527158709D-01
                188.45598484            -0.12484584809
                 31.497144506            0.56468683559
                 13.736008320            0.55555268564
            S    2   1.00
                 21.203212766           -0.24940920493
                  3.7616420178           0.71213119743
            S    1   1.00
                  1.7735933962           1.0000000
            S    1   1.00
                  0.45197413664          1.0000000
            S    1   1.00
                  0.16613377099          1.0000000
            S    1   1.00
                  0.52769579657D-01      1.0000000
            P    6   1.00
               3019.6955723              0.24971049798D-02
                715.35481126             0.20419267596D-01
                229.98328751             0.96897148309D-01
                 86.167844615            0.28053901252
                 34.667870802            0.44606390473
                 14.113870307            0.24410073923
            P    4   1.00
                 57.085653082           -0.21855950710D-01
                  8.8193845840           0.32707075320
                  3.9340302872           0.57855229520
                  1.7998830384           0.33570987698
            P    1   1.00
                  0.66899410512          1.0000000
            P    1   1.00
                  0.27136238231          1.0000000
            P    1   1.00
                  0.10083790243          1.0000000
            P    1   1.00
                  0.29005224647D-01      1.0000000
            D    5   1.00
                168.85370257             0.89663981988D-02
                 49.977949919            0.62062059316D-01
                 18.274913338            0.21474732384
                  7.2455694631           0.40335336746
                  2.8562315025           0.42208813080
            D    1   1.00
                  1.0459621144            .17874813267
            D    1   1.00
                  0.56865655             1.0000000
            D    1   1.00
                  0.22031490             1.0000000
            D    1   1.00
                  0.75865567476D-01      1.0000000
            F    1   1.00
                  0.57083312             1.0000000
            ****
            -Kr     0
            S    8   1.00
             600250.9757500              0.23740610399D-03
              89976.6507810              0.18410240539D-02
              20476.8142250              0.95795580699D-02
               5796.1554078              0.39020650488D-01
               1887.5913196              0.12772645628
                679.11458519             0.30596521300
                264.38244511             0.44857474437
                104.88368574             0.24722957327
            S    4   1.00
                641.47370764            -0.26745279805D-01
                199.57524820            -0.12571122567
                 33.545462954            0.56483736390
                 14.683955144            0.55972765539
            S    2   1.00
                 22.603101860           -0.25298771800
                  4.0650682991           0.70992159965
            S    1   1.00
                  1.9611027060           1.0000000
            S    1   1.00
                  0.52465147979          1.0000000
            S    1   1.00
                  0.19332399511          1.0000000
            S    1   1.00
                  0.61730246979D-01      1.0000000
            P    6   1.00
               3232.9589614              0.24885607974D-02
                765.96442694             0.20379007428D-01
                246.33940810             0.96977188584D-01
                 92.365283041            0.28199960954
                 37.199509551            0.45116254358
                 15.172166534            0.24917131496
            P    4   1.00
                 60.931321698           -0.22173603519D-01
                  9.4792600646           0.32838462778
                  4.2564686326           0.58124997120
                  1.9729313762           0.32863541783
            P    1   1.00
                  0.76337108716          1.0000000
            P    1   1.00
                  0.30943625526          1.0000000
            P    1   1.00
                  0.11569704458          1.0000000
            P    1   1.00
                  0.32364688085D-01      1.0000000
            D    5   1.00
                186.41760904             0.86120284601D-02
                 55.274124345            0.60394406304D-01
                 20.283219120            0.21181331869
                  8.0884536976           0.40366293413
                  3.2214033853           0.42402860686
            D    1   1.00
                  1.1952170102            .17441742274
            D    1   1.00
                  0.6480000              1.0000000
            D    1   1.00
                  0.2510000              1.0000000
            D    1   1.00
                  0.87900125404D-01      1.0000000
            F    1   1.00
                  0.6280000              1.0000000
            ****
            -Rb     0
            S    2   1.00
                  7.4744618040           0.26997866363
                  6.7296180594          -0.42629251814
            S    1   1.00
                  2.7816640004           1.0000000
            S    1   1.00
                  0.53452175148          1.0000000
            S    1   1.00
                  0.22368793034          1.0000000
            S    1   1.00
                  0.32410407052D-01      1.0000000
            S    1   1.00
                  0.14171047424D-01      1.0000000
            P    4   1.00
                  5.6720643194           0.48114224135D-01
                  3.3320183956          -0.18485131426
                  0.80150054910          0.42811864954
                  0.36302220227          0.58673165411
            P    1   1.00
                  0.15733924392          1.0000000
            P    1   1.00
                  0.40000000000D-01      1.0000000
            P    1   1.00
                  0.16000000000D-01      1.0000000
            D    1   1.00
                  0.25907866956          0.76806746340D-01
            D    1   1.00
                  0.42507438045D-01      0.37846160487
            D    1   1.00
                  0.11909276840D-01      1.0000000
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                 33.404240134            0.68377675770D-02
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
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                  6.2390917199           0.38470524721
            S    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
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            D    1   1.00
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            ****
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            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
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            S    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    2   1.00
                  6.0000000000          -0.56587174838
                  4.9822082226           0.97514768535
            S    1   1.00
                  2.1451943914           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  4.9017938336           0.67755479813
                  2.6142685062          -0.46010554954
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            P    1   1.00
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            D    1   1.00
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                 10.00                   0.073
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44174952534
                  4.2709780000           0.85812466843
            S    1   1.00
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            S    1   1.00
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                  3.6808191615           0.14675038550
                  2.3265462081          -0.35581819167
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            -Hf     0
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                 16.000000000           -3.5064630782
                 14.400000000            4.3082581000
                 10.304504667           -0.91045809742
            S    1   1.00
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                  4.9203967161          -0.28227924657
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            P    1   1.00
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            D    1   1.00
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            ****
            -Ta     0
            S    4   1.00
                 24.473650944            0.20590322488
                 18.721372549           -0.74670795514
                 11.500000000            3.4071363897
                 10.350000000           -2.8175487609
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 12.008186536            0.10336287365
                  5.0278760583          -0.28526521696
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    3   1.00
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            D    1   1.00
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            -W     0
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                 30.000000000            0.32246483410
                 27.000000000           -0.46692257214
                 13.078045684            0.42699563776
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                 12.431973432            0.10905673845
                  5.1586217658          -0.29399955020
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  5.9026268603          -0.17667540011
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            D    1   1.00
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            D    1   1.00
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            ****
            -Re     0
            S    3   1.00
                 30.000000000            0.31780717811
                 27.000000000           -0.46492321332
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 12.318606250            0.99711498502D-01
                  5.3719234505          -0.29289398145
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  6.0949443610          -0.17722258734
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            D    1   1.00
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            D    1   1.00
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            ****
            -Os     0
            S    3   1.00
                 30.000000000            0.32213004804
                 27.000000000           -0.47922918137
                 13.524730005            0.47465946837
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 14.000000000           -0.23201520402
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                  1.4139502215          -0.54253238176
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  6.3060397430          -0.16444229630
                  1.4890109110           0.55154541033
                  0.67315390607          0.88461370291
            D    1   1.00
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            D    1   1.00
                  0.11058012051          1.0000000
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                  0.5506500              1.0000000
            ****
            -Ir     0
            S    3   1.00
                 30.000000000            0.30797903228
                 27.000000000           -0.46726361781
                 13.961973911            0.47161003146
            S    1   1.00
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            P    4   1.00
                 15.902664143           -0.16290720099
                 14.415830698            0.23483212987
                  5.7597608991          -0.30305337176
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  6.5898192302          -0.17326965173
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                  0.71827834905          0.85273641436
            D    1   1.00
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            D    1   1.00
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            ****
            -Pt     0
            S    3   1.00
                 30.000000000            0.27148263900
                 27.000000000           -0.42226758774
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 14.000000000            0.23853412989
                  6.1161212339          -0.31041379733
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  7.4207226520          -0.90271847072D-01
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            D    1   1.00
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            D    1   1.00
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            ****
            -Au     0
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                 27.000000000           -0.33267893394
                 14.746824331            0.38302817958
            S    1   1.00
                  5.6017248938           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  1.6595601681          -0.57279670446
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  7.2698886937          -0.93690906606D-01
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                  0.79960541055          0.46795192483
            D    1   1.00
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            D    1   1.00
                  0.12445133105          1.0000000
            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    3   1.00
                 48.013786990            0.58008164912D-02
                 21.239875095           -0.17328165235
                 15.876100879            0.36416685034
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                 15.252594855            0.15327318234
                  6.4404715169          -0.30274955249
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            P    1   1.00
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            P    1   1.00
                  0.41304540122          1.0000000
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  7.5920661493          -0.94774230522D-01
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                  0.88641552102          0.45567078406
            D    1   1.00
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            D    1   1.00
                  0.14880740086          1.0000000
            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    4   1.00
                729.65038145             0.13672829828D-03
                 46.665548707            0.60443439951D-02
                 20.970448726           -0.20022066697
                 14.149588677            0.40801678488
            S    2   1.00
                 20.730134285           -0.71861135918D-01
                  6.1527631309           0.98057508445
            S    1   1.00
                  1.5757324480           1.0000000
            S    1   1.00
                  0.74980169458          1.0000000
            S    1   1.00
                  0.19536816194          1.0000000
            S    1   1.00
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            S    1   1.00
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            P    3   1.00
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                 14.814929544           -0.72859235151
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            P    3   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  9.7368866667           0.24456562496D-01
                  6.9256201679          -0.69914775031D-01
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                  1.0836187110           0.29731629705
                  0.52356298209          0.23728708102
            D    1   1.00
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            D    1   1.00
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            D    1   1.00
                  0.30807799761D-01      1.0000000
            F    1   1.00
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            F    1   1.00
                  0.2843500              1.0000000
            ****
            -Pb     0
            S    4   1.00
                591.61124370             0.22126521076D-03
                 46.757232559            0.56961959130D-02
                 20.746462696           -0.21374063831
                 14.610796419            0.40502620616
            S    2   1.00
                 20.222637612           -0.83541883299D-01
                  6.4767324865           0.97910892388
            S    1   1.00
                  1.6600600927           1.0000000
            S    1   1.00
                  0.80431655001          1.0000000
            S    1   1.00
                  0.22627039020          1.0000000
            S    1   1.00
                  0.84014530665D-01      1.0000000
            S    1   1.00
                  0.28533321717D-01      1.0000000
            P    3   1.00
                 15.189102118            0.61952303583
                 14.693144415           -0.72498497086
                  6.8705890048           0.37680007984
            P    3   1.00
                  2.2021426123           0.40196284806
                  1.2209125119           0.46058131862
                  0.63367559815          0.19367655397
            P    1   1.00
                  0.28202837058          1.0000000
            P    1   1.00
                  0.11333375666          1.0000000
            P    1   1.00
                  0.43948707430D-01      1.0000000
            D    6   1.00
                 61.315369628            0.33870800787D-03
                 12.372195840            0.13788683942D-01
                  6.9254944983          -0.75979608103D-01
                  2.3319539939           0.28113784298
                  1.2108730003           0.44474512269
                  0.60090478506          0.35326874351
            D    1   1.00
                  0.28135869813          1.0000000
            D    1   1.00
                  0.11500000000          1.0000000
            D    1   1.00
                  0.40071342706D-01      1.0000000
            F    1   1.00
                  1.0000000              1.0000000
            F    1   1.00
                  0.2896200              1.0000000
            ****
            -Bi     0
            S    4   1.00
                716.41435310             0.31254307133D-03
                 83.806059047            0.17624768946D-02
                 21.116962853           -0.21910983437
                 15.491448187            0.40411224931
            S    2   1.00
                 23.239855029           -0.68255758685D-01
                  6.6474255000           0.97888046471
            S    1   1.00
                  1.7617744005           1.0000000
            S    1   1.00
                  0.87252866000          1.0000000
            S    1   1.00
                  0.25618895997          1.0000000
            S    1   1.00
                  0.97073913006D-01      1.0000000
            S    1   1.00
                  0.35808906242D-01      1.0000000
            P    3   1.00
                 15.249644669            0.74560356000
                 14.846176053           -0.85578637338
                  7.0636826784           0.40149159592
            P    3   1.00
                  2.5881255616           0.35542729633
                  1.5020208499           0.63976991890
                  0.76732724388          0.32332773839
            P    1   1.00
                  0.32797648982          1.0000000
            P    1   1.00
                  0.13820335991          1.0000000
            P    1   1.00
                  0.55137330969D-01      1.0000000
            D    6   1.00
                 66.404481948            0.38102878348D-03
                 13.858426961            0.10746152442D-01
                  7.0654519000          -0.71947646845D-01
                  2.5252144035           0.26195974989
                  1.3419585000           0.42594750000
                  0.68340941000          0.33680325627
            D    1   1.00
                  0.32934755420          1.0000000
            D    1   1.00
                  0.14000000000          1.0000000
            D    1   1.00
                  0.50194378647D-01      1.0000000
            F    1   1.00
                  1.0500000              1.0000000
            F    1   1.00
                  0.3127100              1.0000000
            ****
            -Po     0
            S    5   1.00
               6744.8211765              0.76891556363D-04
                744.41892532             0.71284827354D-03
                131.04029309             0.22057583958D-02
                 19.662021030           -0.64364713744
                 16.623025609            0.91997150546
            S    2   1.00
                 23.094002965           -0.70404410177D-01
                  6.9707398381           0.97886540086
            S    1   1.00
                  1.8497377593           1.0000000
            S    1   1.00
                  0.93082999263          1.0000000
            S    1   1.00
                  0.28673026462          1.0000000
            S    1   1.00
                  0.10979212169          1.0000000
            S    1   1.00
                  0.35812540416D-01      1.0000000
            P    4   1.00
                  8.9027395407          -0.13798250445
                  5.7414667465           0.26304005326
                  1.9896329823           0.66225846161
                  0.94703210822          0.39547051892
            P    3   1.00
                253.99024497             0.83876362116D-04
                  9.8712718748           0.24572710458
                  7.4489893496          -0.44297763661
            P    1   1.00
                  0.37071136280          1.0000000
            P    1   1.00
                  0.15554706086          1.0000000
            P    1   1.00
                  0.61173720818D-01      1.0000000
            P    1   1.00
                  0.19437729576D-01      1.0000000
            D    6   1.00
                 67.943077046            0.48919125336D-03
                 14.914219894            0.10157120776D-01
                  7.2973948305          -0.69943263066D-01
                  2.6826784400           0.26244730680
                  1.4374143009           0.42702361494
                  0.73903797417          0.32502435477
            D    1   1.00
                  0.35838153281          1.0000000
            D    1   1.00
                  0.15000000000          1.0000000
            D    1   1.00
                  0.51710661379D-01      1.0000000
            F    1   1.00
                  1.4000000              1.0000000
            F    1   1.00
                  0.3327500              1.0000000
            ****
            -At     0
            S    5   1.00
               3635.9809356              0.12571463494D-03
                537.64129823             0.75950883820D-03
                 91.600030756            0.25790982348D-02
                 20.200005804           -0.54772187699
                 16.893873824            0.78417507786
            S    2   1.00
                 18.177216938           -0.13023627002
                  7.2317852082           0.96473566747
            S    1   1.00
                  1.9496199739           1.0000000
            S    1   1.00
                  0.99226695236          1.0000000
            S    1   1.00
                  0.31957178881          1.0000000
            S    1   1.00
                  0.12342539809          1.0000000
            S    1   1.00
                  0.40936378211D-01      1.0000000
            P    4   1.00
                  8.9484156471          -0.15012953475
                  5.9694592464           0.27048141788
                  2.1099088209           0.63671217722
                  1.0236370373           0.38057472615
            P    3   1.00
                216.81518928             0.16975297090D-03
                 10.592298115            0.22683755793
                  7.4596585430          -0.47336848377
            P    1   1.00
                  0.42186356565          1.0000000
            P    1   1.00
                  0.17757132268          1.0000000
            P    1   1.00
                  0.69670886939D-01      1.0000000
            P    1   1.00
                  0.20397906578D-01      1.0000000
            D    6   1.00
                 70.619633393            0.59974022914D-03
                 16.212096478            0.93445952839D-02
                  7.3607401479          -0.70748413897D-01
                  2.9309052592           0.24037366077
                  1.6085414823           0.41841372624
                  0.84194162715          0.32832651044
            D    1   1.00
                  0.41335677957          1.0000000
            D    1   1.00
                  0.17400000000          1.0000000
            D    1   1.00
                  0.59789898654D-01      1.0000000
            F    1   1.00
                  1.8000000              1.0000000
            F    1   1.00
                  0.3740800              1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2TZVPD/36d_RhEn3-ob3_STD/Gau-227883.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2TZVPD/36d_RhEn3-ob3_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    227884.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                22-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=36d_RhEn3-ob3_STD_B3LYPDBJ-def2TZVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq Pseudo=Rea
 d
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,16=1,17=8,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul 22 20:40:42 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "36d_RhEn3-ob3_STD_B3LYPDBJ-def2TZVPDr.chk"
 Charge =  3 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.888503000000     -2.283626000000      0.346441000000
  C                                                -2.701393000000     -1.217376000000     -0.346813000000
  N                                                -1.764324000000     -0.337100000000     -1.129343000000
  Rh                                                0.000137000000     -0.000290000000      0.000013000000
  N                                                -0.791312000000     -1.612960000000      1.128524000000
  N                                                 1.791723000000      0.121006000000      1.129851000000
  C                                                 2.921909000000     -0.491806000000      0.347289000000
  C                                                 2.406559000000     -1.729107000000     -0.346832000000
  N                                                 1.175543000000     -1.358466000000     -1.129476000000
  N                                                 0.590741000000      1.696308000000     -1.128278000000
  C                                                 0.295422000000      2.947860000000     -0.346258000000
  C                                                -1.034809000000      2.775943000000      0.346020000000
  N                                                -1.002175000000      1.490800000000      1.128835000000
  H                                                 2.129415000000     -2.500430000000      0.372568000000
  H                                                 3.162755000000     -2.156588000000     -1.006173000000
  H                                                 3.274326000000      0.248135000000     -0.372189000000
  H                                                 3.757967000000     -0.727492000000      1.006648000000
  H                                                 1.100920000000      3.093573000000      0.374343000000
  H                                                 0.288614000000      3.816420000000     -1.005696000000
  H                                                -1.850762000000      2.711245000000     -0.374670000000
  H                                                -1.249471000000      3.617991000000      1.004939000000
  H                                                -3.229730000000     -0.591602000000      0.373293000000
  H                                                -3.450537000000     -1.657262000000     -1.006036000000
  H                                                -1.425273000000     -2.959234000000     -0.373430000000
  H                                                -2.511055000000     -2.889142000000      1.006049000000
  H                                                -0.108747000000     -2.318114000000      1.404588000000
  H                                                -1.178462000000     -1.274245000000      2.009660000000
  H                                                -2.263642000000      0.507788000000     -1.405377000000
  H                                                -1.540523000000     -0.800167000000     -2.010547000000
  H                                                -1.954196000000      1.251545000000      1.404096000000
  H                                                -0.516258000000      1.657364000000      2.010418000000
  H                                                 1.572245000000      1.706926000000     -1.403733000000
  H                                                 0.078341000000      1.733532000000     -2.009807000000
  H                                                 2.059772000000      1.064893000000      1.406565000000
  H                                                 1.692659000000     -0.384485000000      2.010616000000
  H                                                 0.694313000000     -2.213552000000     -1.406187000000
  H                                                 1.464666000000     -0.932467000000     -2.010390000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     37 NQM=       37 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          14         103          14          14          12          12          14          14
 AtmWgt=  12.0000000  12.0000000  14.0030740 102.9048000  14.0030740  14.0030740  12.0000000  12.0000000  14.0030740  14.0030740
 NucSpn=           0           0           2           1           2           2           0           0           2           2
 AtZEff=   3.6000000   3.6000000   4.5500000 229.5000000   4.5500000   4.5500000   3.6000000   3.6000000   4.5500000   4.5500000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   2.0440000   2.0440000   0.0000000   0.0000000   2.0440000   2.0440000
 NMagM=    0.0000000   0.0000000   0.4037610  -0.0884000   0.4037610   0.4037610   0.0000000   0.0000000   0.4037610   0.4037610
 AtZNuc=   6.0000000   6.0000000   7.0000000  45.0000000   7.0000000   7.0000000   6.0000000   6.0000000   7.0000000   7.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          14           1           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  14.0030740   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           2           1           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   4.5500000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.4037610   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   7.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31          32          33          34          35          36          37
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul 22 20:40:42 2021, MaxMem=  5637144576 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.888503   -2.283626    0.346441
      2          6           0       -2.701393   -1.217376   -0.346813
      3          7           0       -1.764324   -0.337100   -1.129343
      4         45           0        0.000137   -0.000290    0.000013
      5          7           0       -0.791312   -1.612960    1.128524
      6          7           0        1.791723    0.121006    1.129851
      7          6           0        2.921909   -0.491806    0.347289
      8          6           0        2.406559   -1.729107   -0.346832
      9          7           0        1.175543   -1.358466   -1.129476
     10          7           0        0.590741    1.696308   -1.128278
     11          6           0        0.295422    2.947860   -0.346258
     12          6           0       -1.034809    2.775943    0.346020
     13          7           0       -1.002175    1.490800    1.128835
     14          1           0        2.129415   -2.500430    0.372568
     15          1           0        3.162755   -2.156588   -1.006173
     16          1           0        3.274326    0.248135   -0.372189
     17          1           0        3.757967   -0.727492    1.006648
     18          1           0        1.100920    3.093573    0.374343
     19          1           0        0.288614    3.816420   -1.005696
     20          1           0       -1.850762    2.711245   -0.374670
     21          1           0       -1.249471    3.617991    1.004939
     22          1           0       -3.229730   -0.591602    0.373293
     23          1           0       -3.450537   -1.657262   -1.006036
     24          1           0       -1.425273   -2.959234   -0.373430
     25          1           0       -2.511055   -2.889142    1.006049
     26          1           0       -0.108747   -2.318114    1.404588
     27          1           0       -1.178462   -1.274245    2.009660
     28          1           0       -2.263642    0.507788   -1.405377
     29          1           0       -1.540523   -0.800167   -2.010547
     30          1           0       -1.954196    1.251545    1.404096
     31          1           0       -0.516258    1.657364    2.010418
     32          1           0        1.572245    1.706926   -1.403733
     33          1           0        0.078341    1.733532   -2.009807
     34          1           0        2.059772    1.064893    1.406565
     35          1           0        1.692659   -0.384485    2.010616
     36          1           0        0.694313   -2.213552   -1.406187
     37          1           0        1.464666   -0.932467   -2.010390
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.509397   0.000000
     3  N    2.445879   1.505104   0.000000
     4  Rh   2.983387   2.983262   2.121841   0.000000
     5  N    1.505083   2.445714   2.769934   2.121470   0.000000
     6  N    4.465428   4.915272   4.237840   2.121562   3.111062
     7  C    5.133292   5.712246   4.915807   2.983109   3.956681
     8  C    4.385850   5.133521   4.466125   2.983283   3.523712
     9  N    3.524575   3.957664   3.112235   2.121784   3.005304
    10  N    4.915417   4.465242   3.111443   2.121391   4.237273
    11  C    5.711200   5.131286   3.955596   2.983066   4.914982
    12  C    5.131085   4.382250   3.521353   2.983002   4.464759
    13  N    3.955251   3.521235   3.003574   2.121843   3.110915
    14  H    4.023848   5.049796   4.700738   3.305045   3.144792
    15  H    5.230766   5.975375   5.253743   3.957800   4.526269
    16  H    5.794916   6.152852   5.128721   3.304628   4.716485
    17  H    5.894069   6.617792   5.933849   3.957704   4.636254
    18  H    6.152373   5.793266   4.715953   3.305122   5.128429
    19  H    6.616545   5.891805   4.634822   3.957518   5.932900
    20  H    5.046797   4.019753   3.141562   3.304336   4.699019
    21  H    5.972526   5.226479   4.523602   3.957696   5.252431
    22  H    2.159295   1.090544   2.114261   3.304698   2.749441
    23  H    2.159045   1.090546   2.145075   3.957884   3.410247
    24  H    1.090524   2.159458   2.749899   3.305541   2.114291
    25  H    1.090552   2.158996   3.410341   3.957734   2.145031
    26  H    2.070844   3.316752   3.617480   2.712378   1.019484
    27  H    2.071064   2.806335   3.327884   2.655323   1.020301
    28  H    3.316864   2.070839   1.019485   2.712556   3.617455
    29  H    2.806623   2.071157   1.020313   2.656273   3.328020
    30  H    3.690580   3.117620   2.996357   2.712556   3.103809
    31  H    4.492580   4.312248   3.923475   2.656353   3.398295
    32  H    5.564566   5.285130   3.922502   2.712308   4.797955
    33  H    5.055486   4.381818   2.908290   2.655491   4.669521
    34  H    5.284441   5.563432   4.797929   2.712029   3.921337
    35  H    4.381887   5.055578   4.670366   2.656080   2.908152
    36  H    3.122107   3.693976   3.105255   2.712528   2.998758
    37  H    4.315556   4.494965   3.399571   2.656223   3.924957
                    6          7          8          9         10
     6  N    0.000000
     7  C    1.505079   0.000000
     8  C    2.445718   1.509405   0.000000
     9  N    2.770031   2.445757   1.505094   0.000000
    10  N    3.003844   3.521290   3.954911   3.110247   0.000000
    11  C    3.522629   4.383006   5.131366   4.464581   1.505042
    12  C    3.956307   5.131647   5.711264   4.914884   2.445727
    13  N    3.111624   4.465420   4.915777   4.238011   2.770230
    14  H    2.749444   2.159457   1.090543   2.114259   4.715153
    15  H    3.410244   2.159020   1.090552   2.145044   4.634110
    16  H    2.114331   1.090577   2.159432   2.749462   3.141736
    17  H    2.145051   1.090548   2.159038   3.410288   4.523719
    18  H    3.143908   4.021402   5.048072   4.699754   2.114356
    19  H    4.525039   5.227392   5.972660   5.251801   2.145037
    20  H    4.715996   5.793026   6.151608   5.127456   2.749356
    21  H    4.636094   5.892652   6.617046   5.933089   3.410258
    22  H    5.127883   6.152503   5.794847   4.717290   4.699494
    23  H    5.933426   6.617994   5.894513   4.637363   5.252933
    24  H    4.700723   5.050310   4.024532   3.146158   5.129150
    25  H    5.252639   5.974804   5.230573   4.527079   5.933198
    26  H    3.104283   3.692988   3.121084   2.998634   4.797945
    27  H    3.397468   4.493187   4.314201   3.924616   4.669145
    28  H    4.798225   5.564258   5.285357   3.922629   3.104330
    29  H    4.670602   5.056459   4.382959   2.909467   3.398981
    30  H    3.922402   5.285122   5.564730   4.798584   3.617656
    31  H    2.909050   4.382456   5.056449   4.670798   3.328419
    32  H    2.997059   3.118027   3.690453   3.103098   1.019479
    33  H    3.923439   4.312066   4.491765   3.396953   1.020310
    34  H    1.019482   2.070907   3.316790   3.617462   2.997026
    35  H    1.020334   2.071046   2.806283   3.328096   3.923847
    36  H    3.617452   3.316816   2.070919   1.019472   3.921092
    37  H    3.328346   2.806491   2.071044   1.020332   2.907288
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.509410   0.000000
    13  N    2.445952   1.505143   0.000000
    14  H    5.793454   6.152490   5.129202   0.000000
    15  H    5.891729   6.616482   5.933662   1.756971   0.000000
    16  H    4.020330   5.047205   4.699548   3.069217   2.489393
    17  H    5.227598   5.973373   5.253066   2.489488   2.539299
    18  H    1.090562   2.159405   2.749754   5.687765   5.806994
    19  H    1.090551   2.158976   3.410406   6.722407   6.628538
    20  H    2.159375   1.090577   2.114264   6.600131   7.016406
    21  H    2.159051   1.090550   2.145098   7.017965   7.540429
    22  H    5.047003   4.019799   3.141535   5.688942   6.724282
    23  H    5.972827   5.226577   4.523543   5.809247   6.632116
    24  H    6.152665   5.793300   4.715784   3.660986   4.700490
    25  H    6.616316   5.891361   4.634187   4.699612   6.064470
    26  H    5.564108   5.284655   3.921999   2.471371   4.067012
    27  H    5.054587   4.380908   2.907302   3.889171   5.359099
    28  H    3.691137   3.118004   2.996638   5.613325   6.058387
    29  H    4.493135   4.312507   3.923527   4.694526   4.996946
    30  H    3.316927   2.070890   1.019488   5.640678   6.603632
    31  H    2.806800   2.071312   1.020317   5.193206   6.097638
    32  H    2.070857   3.316800   3.617769   4.600818   4.196965
    33  H    2.071017   2.806358   3.328289   5.273429   5.064970
    34  H    3.119437   3.691731   3.103877   3.712887   4.173226
    35  H    4.314122   4.494248   3.399465   2.711306   3.795069
    36  H    5.284197   5.563735   4.798607   2.303429   2.501292
    37  H    4.381028   5.054933   4.670360   2.928974   2.321730
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.756971   0.000000
    18  H    3.657529   4.696834   0.000000
    19  H    4.695579   6.060782   1.756945   0.000000
    20  H    5.686250   6.722410   3.069140   2.489284   0.000000
    21  H    5.806647   6.630057   2.489378   2.539239   1.757003
    22  H    6.600276   7.017657   5.686391   5.806119   3.656474
    23  H    7.018268   7.541744   6.722473   6.628910   4.694865
    24  H    5.689767   5.809584   6.601310   7.017596   5.686420
    25  H    6.724037   6.631242   7.017000   7.539882   5.805748
    26  H    4.603016   4.199989   5.640129   6.603020   5.612025
    27  H    5.274293   5.066883   5.191115   6.095864   4.692670
    28  H    5.639502   6.603299   4.601518   4.197714   2.467397
    29  H    5.192873   6.097765   5.275048   5.066394   3.886175
    30  H    5.612438   6.058330   3.713111   4.173234   2.303352
    31  H    4.693748   4.996408   2.711955   3.795561   2.929200
    32  H    2.467637   4.063706   2.303582   2.501221   3.712762
    33  H    3.886196   5.356798   2.929087   2.321826   2.711279
    34  H    2.303519   2.501288   2.469903   4.065330   4.601690
    35  H    2.929102   2.321875   3.889014   5.358832   5.275317
    36  H    3.712886   4.173263   5.612592   6.056860   5.638711
    37  H    2.711530   3.795229   4.693427   4.994441   5.190788
                   21         22         23         24         25
    21  H    0.000000
    22  H    4.694792   0.000000
    23  H    6.059456   1.756968   0.000000
    24  H    6.722403   3.069095   2.489381   0.000000
    25  H    6.628301   2.489089   2.539417   1.756928   0.000000
    26  H    6.057913   3.712809   4.173176   2.303394   2.501198
    27  H    4.994845   2.711346   3.795188   2.929031   2.321838
    28  H    4.063438   2.303400   2.501127   3.713222   4.173167
    29  H    5.357050   2.929098   2.322027   2.712011   3.795471
    30  H    2.501206   2.467130   4.063118   4.601089   4.196882
    31  H    2.322207   3.885995   5.356840   5.274658   5.065441
    32  H    4.173242   5.612488   6.058404   5.640894   6.603350
    33  H    3.795124   4.693479   4.995800   5.192363   6.096677
    34  H    4.198893   5.638303   6.602596   5.613156   6.057001
    35  H    5.068267   5.191689   6.096935   4.694093   4.995365
    36  H    6.602933   4.603845   4.201114   2.472908   4.068131
    37  H    6.096345   5.275935   5.068853   3.890909   5.360395
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.612472   0.000000
    28  H    4.530474   4.001966   0.000000
    29  H    4.002161   4.064222   1.612414   0.000000
    30  H    4.018476   2.710735   2.922682   4.005051   0.000000
    31  H    4.041970   3.005469   4.005313   4.822524   1.612446
    32  H    5.187808   5.301417   4.018951   4.042655   4.530680
    33  H    5.301786   5.175171   2.711580   3.006718   4.002281
    34  H    4.018360   4.039981   5.187417   5.302568   4.018306
    35  H    2.711320   3.005829   5.302592   5.176486   4.042773
    36  H    2.925114   4.007193   4.019352   2.712453   5.188370
    37  H    4.007209   4.823250   4.042358   3.008100   5.302569
                   31         32         33         34         35
    31  H    0.000000
    32  H    4.002590   0.000000
    33  H    4.064672   1.612384   0.000000
    34  H    2.711382   2.923639   4.005589   0.000000
    35  H    3.008066   4.005781   4.822429   1.612559   0.000000
    36  H    5.303080   4.017576   4.040204   4.530370   4.002090
    37  H    5.176696   2.710351   3.004904   4.002397   4.064573
                   36         37
    36  H    0.000000
    37  H    1.612353   0.000000
 Stoichiometry    C6H24N6Rh(3+)
 Framework group  C1[X(C6H24N6Rh)]
 Deg. of freedom   105
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.30D-14
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.888523   -2.283610    0.346441
      2          6           0       -2.701404   -1.217353   -0.346813
      3          7           0       -1.764327   -0.337085   -1.129343
      4         45           0        0.000137   -0.000290    0.000013
      5          7           0       -0.791326   -1.612953    1.128524
      6          7           0        1.791724    0.120990    1.129851
      7          6           0        2.921905   -0.491832    0.347289
      8          6           0        2.406544   -1.729128   -0.346832
      9          7           0        1.175531   -1.358476   -1.129476
     10          7           0        0.590756    1.696303   -1.128278
     11          6           0        0.295448    2.947857   -0.346258
     12          6           0       -1.034785    2.775952    0.346020
     13          7           0       -1.002162    1.490809    1.128835
     14          1           0        2.129393   -2.500449    0.372568
     15          1           0        3.162736   -2.156616   -1.006173
     16          1           0        3.274328    0.248106   -0.372189
     17          1           0        3.757961   -0.727525    1.006648
     18          1           0        1.100947    3.093563    0.374343
     19          1           0        0.288647    3.816417   -1.005696
     20          1           0       -1.850738    2.711261   -0.374670
     21          1           0       -1.249439    3.618002    1.004939
     22          1           0       -3.229735   -0.591574    0.373293
     23          1           0       -3.450551   -1.657232   -1.006036
     24          1           0       -1.425299   -2.959222   -0.373430
     25          1           0       -2.511080   -2.889120    1.006049
     26          1           0       -0.108767   -2.318113    1.404588
     27          1           0       -1.178473   -1.274235    2.009660
     28          1           0       -2.263637    0.507808   -1.405377
     29          1           0       -1.540530   -0.800154   -2.010547
     30          1           0       -1.954185    1.251562    1.404096
     31          1           0       -0.516243    1.657368    2.010418
     32          1           0        1.572260    1.706912   -1.403733
     33          1           0        0.078356    1.733531   -2.009807
     34          1           0        2.059781    1.064875    1.406565
     35          1           0        1.692656   -0.384500    2.010616
     36          1           0        0.694294   -2.213558   -1.406187
     37          1           0        1.464658   -0.932480   -2.010390
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.7090961           0.7085638           0.4562113
 Leave Link  202 at Thu Jul 22 20:40:43 2021, MaxMem=  5637144576 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      14     15     16     17     18     19     20     21     22     23
 Centers:      24     25     26     27     28     29     30     31     32     33
 Centers:      34     35     36     37
 S 3 1.00
     Exponent=  3.4061341000D+01 Coefficients=  6.0251978000D-03
     Exponent=  5.1235746000D+00 Coefficients=  4.5021094000D-02
     Exponent=  1.1646626000D+00 Coefficients=  2.0189726000D-01
 S 1 1.00
     Exponent=  3.2723041000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.0307241000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  9.5774129632D-02 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      7      8     11     12
 S 6 1.00
     Exponent=  1.3575349682D+04 Coefficients=  2.2245814352D-04
     Exponent=  2.0352333680D+03 Coefficients=  1.7232738252D-03
     Exponent=  4.6322562359D+02 Coefficients=  8.9255715314D-03
     Exponent=  1.3120019598D+02 Coefficients=  3.5727984502D-02
     Exponent=  4.2853015891D+01 Coefficients=  1.1076259931D-01
     Exponent=  1.5584185766D+01 Coefficients=  2.4295627626D-01
 S 2 1.00
     Exponent=  6.2067138508D+00 Coefficients=  4.1440263448D-01
     Exponent=  2.5764896527D+00 Coefficients=  2.3744968655D-01
 S 1 1.00
     Exponent=  5.7696339419D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.2972831358D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.5164440028D-02 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.8475401370D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  3.4697232244D+01 Coefficients=  5.3333657805D-03
     Exponent=  7.9582622826D+00 Coefficients=  3.5864109092D-02
     Exponent=  2.3780826883D+00 Coefficients=  1.4215873329D-01
     Exponent=  8.1433208183D-01 Coefficients=  3.4270471845D-01
 P 1 1.00
     Exponent=  2.8887547253D-01 Coefficients=  4.6445822433D-01
 P 1 1.00
     Exponent=  1.0056823671D-01 Coefficients=  2.4955789874D-01
 D 1 1.00
     Exponent=  1.0970000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.1800000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  9.0985336424D-02 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  7.6100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       3      5      6      9     10     13
 S 6 1.00
     Exponent=  1.9730800647D+04 Coefficients=  2.1887984991D-04
     Exponent=  2.9578958745D+03 Coefficients=  1.6960708803D-03
     Exponent=  6.7322133595D+02 Coefficients=  8.7954603538D-03
     Exponent=  1.9068249494D+02 Coefficients=  3.5359382605D-02
     Exponent=  6.2295441898D+01 Coefficients=  1.1095789217D-01
     Exponent=  2.2654161182D+01 Coefficients=  2.4982972552D-01
 S 2 1.00
     Exponent=  8.9791477428D+00 Coefficients=  4.0623896148D-01
     Exponent=  3.6863002370D+00 Coefficients=  2.4338217176D-01
 S 1 1.00
     Exponent=  8.4660076805D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  3.3647133771D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3647653675D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.8441605847D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  4.9200380510D+01 Coefficients=  5.5552416751D-03
     Exponent=  1.1346790537D+01 Coefficients=  3.8052379723D-02
     Exponent=  3.4273972411D+00 Coefficients=  1.4953671029D-01
     Exponent=  1.1785525134D+00 Coefficients=  3.4949305230D-01
 P 1 1.00
     Exponent=  4.1642204972D-01 Coefficients=  4.5843153697D-01
 P 1 1.00
     Exponent=  1.4260826011D-01 Coefficients=  2.4428771672D-01
 D 1 1.00
     Exponent=  1.6540000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  4.6900000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2829642058D-01 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  1.0930000000D+00 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 2 1.00
     Exponent=  1.7000000000D+01 Coefficients= -1.6690803139D-01
     Exponent=  1.3910581694D+01 Coefficients=  3.4235001652D-01
 S 1 1.00
     Exponent=  5.2481265288D+00 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.2262575928D+00 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  5.3930216349D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.0130730377D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  3.7124139005D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.1767103631D+01 Coefficients=  5.9494859388D-02
     Exponent=  6.7485133083D+00 Coefficients= -2.3735853477D-01
     Exponent=  1.7502679834D+00 Coefficients=  4.9019334303D-01
     Exponent=  8.4321166133D-01 Coefficients=  5.0623933751D-01
 P 1 1.00
     Exponent=  3.8295544759D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1500000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  3.7000000000D-02 Coefficients=  1.0000000000D+00
 D 4 1.00
     Exponent=  1.9857830136D+01 Coefficients=  6.6960778187D-03
     Exponent=  1.0061378139D+01 Coefficients= -2.1981738213D-02
     Exponent=  2.2619546477D+00 Coefficients=  3.7918706236D-01
     Exponent=  9.7098845035D-01 Coefficients=  6.7289976592D-01
 D 1 1.00
     Exponent=  3.8391195297D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.3537026904D-01 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  1.0949900000D+00 Coefficients=  1.0000000000D+00
 ****
 ======================================================================================================
                                       Pseudopotential Parameters
 ======================================================================================================
  Center     Atomic      Valence      Angular      Power
  Number     Number     Electrons     Momentum     of R      Exponent        Coefficient   SO-Coeffient
 ======================================================================================================
    1          6
                                   No pseudopotential on this center.
    2          6
                                   No pseudopotential on this center.
    3          7
                                   No pseudopotential on this center.
    4         45           17
                                      F and up 
                                                     2       12.3100000      -30.09345572    0.00000000
                                                     2        6.1600000       -5.21848192    0.00000000
                                      S - F
                                                     2       11.7200000      225.34775353    0.00000000
                                                     2        5.8200000       32.82318898    0.00000000
                                                     2       12.3100000       30.09345572    0.00000000
                                                     2        6.1600000        5.21848192    0.00000000
                                      P - F
                                                     2       10.4200000      158.70941159    0.00000000
                                                     2        5.4500000       26.44410049    0.00000000
                                                     2       12.3100000       30.09345572    0.00000000
                                                     2        6.1600000        5.21848192    0.00000000
                                      D - F
                                                     2        8.8200000       62.75862572    0.00000000
                                                     2        3.8700000       10.97871947    0.00000000
                                                     2       12.3100000       30.09345572    0.00000000
                                                     2        6.1600000        5.21848192    0.00000000
    5          7
                                   No pseudopotential on this center.
    6          7
                                   No pseudopotential on this center.
    7          6
                                   No pseudopotential on this center.
    8          6
                                   No pseudopotential on this center.
    9          7
                                   No pseudopotential on this center.
   10          7
                                   No pseudopotential on this center.
   11          6
                                   No pseudopotential on this center.
   12          6
                                   No pseudopotential on this center.
   13          7
                                   No pseudopotential on this center.
   14          1
                                   No pseudopotential on this center.
   15          1
                                   No pseudopotential on this center.
   16          1
                                   No pseudopotential on this center.
   17          1
                                   No pseudopotential on this center.
   18          1
                                   No pseudopotential on this center.
   19          1
                                   No pseudopotential on this center.
   20          1
                                   No pseudopotential on this center.
   21          1
                                   No pseudopotential on this center.
   22          1
                                   No pseudopotential on this center.
   23          1
                                   No pseudopotential on this center.
   24          1
                                   No pseudopotential on this center.
   25          1
                                   No pseudopotential on this center.
   26          1
                                   No pseudopotential on this center.
   27          1
                                   No pseudopotential on this center.
   28          1
                                   No pseudopotential on this center.
   29          1
                                   No pseudopotential on this center.
   30          1
                                   No pseudopotential on this center.
   31          1
                                   No pseudopotential on this center.
   32          1
                                   No pseudopotential on this center.
   33          1
                                   No pseudopotential on this center.
   34          1
                                   No pseudopotential on this center.
   35          1
                                   No pseudopotential on this center.
   36          1
                                   No pseudopotential on this center.
   37          1
                                   No pseudopotential on this center.
 ======================================================================================================
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   778 symmetry adapted cartesian basis functions of A   symmetry.
 There are   700 symmetry adapted basis functions of A   symmetry.
   700 basis functions,  1034 primitive gaussians,   778 cartesian basis functions
    58 alpha electrons       58 beta electrons
       nuclear repulsion energy      1198.5355266150 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   37 NActive=   37 NUniq=   37 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0808125561 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1198.4547140589 Hartrees.
 Leave Link  301 at Thu Jul 22 20:40:44 2021, MaxMem=  5637144576 cpu:               6.8 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   42195 NPrTT=  103180 LenC2=   40863 LenP2D=   80417.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 NBasis=   700 RedAO= T EigKep=  4.79D-06  NBF=   700
 NBsUse=   700 1.00D-06 EigRej= -1.00D+00 NBFU=   700
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  45.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   776   776   776   776   776 MxSgAt=    37 MxSgA2=    37.
 Leave Link  302 at Thu Jul 22 20:40:45 2021, MaxMem=  5637144576 cpu:              12.4 elap:               1.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul 22 20:40:46 2021, MaxMem=  5637144576 cpu:               1.5 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "36d_RhEn3-ob3_STD_B3LYPDBJ-def2TZVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul 22 20:40:47 2021, MaxMem=  5637144576 cpu:              10.5 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5635920659 LenY=  5635314597
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 930000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 E= -681.636091954674    
 DIIS: error= 3.33D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -681.636091954674     IErMin= 1 ErrMin= 3.33D-03
 ErrMax= 3.33D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.79D-03 BMatP= 5.79D-03
 IDIUse=3 WtCom= 9.67D-01 WtEn= 3.33D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.231 Goal=   None    Shift=    0.000
 GapD=    0.231 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=3.97D-03 MaxDP=2.85D-01              OVMax= 7.07D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  3.96D-03    CP:  1.04D+00
 E= -681.638773265855     Delta-E=       -0.002681311182 Rises=F Damp=F
 DIIS: error= 5.88D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -681.638773265855     IErMin= 2 ErrMin= 5.88D-05
 ErrMax= 5.88D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.20D-06 BMatP= 5.79D-03
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.912D-02 0.101D+01
 Coeff:     -0.912D-02 0.101D+01
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=1.26D-04 MaxDP=1.21D-02 DE=-2.68D-03 OVMax= 1.38D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  5.93D-05    CP:  1.04D+00  1.03D+00
 E= -681.638765718749     Delta-E=        0.000007547106 Rises=F Damp=F
 DIIS: error= 1.57D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -681.638773265855     IErMin= 2 ErrMin= 5.88D-05
 ErrMax= 1.57D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.56D-05 BMatP= 4.20D-06
 IDIUse=3 WtCom= 4.44D-01 WtEn= 5.56D-01
 Coeff-Com: -0.685D-02 0.702D+00 0.304D+00
 Coeff-En:   0.000D+00 0.708D+00 0.292D+00
 Coeff:     -0.304D-02 0.705D+00 0.298D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=8.23D-06 MaxDP=2.09D-03 DE= 7.55D-06 OVMax= 9.37D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.28D-06    CP:  1.04D+00  1.03D+00  9.92D-01
 E= -681.638778288581     Delta-E=       -0.000012569832 Rises=F Damp=F
 DIIS: error= 2.27D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -681.638778288581     IErMin= 4 ErrMin= 2.27D-05
 ErrMax= 2.27D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.20D-07 BMatP= 4.20D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.237D-02 0.229D+00 0.152D+00 0.621D+00
 Coeff:     -0.237D-02 0.229D+00 0.152D+00 0.621D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=3.04D-06 MaxDP=3.12D-04 DE=-1.26D-05 OVMax= 1.34D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.92D-06    CP:  1.04D+00  1.03D+00  1.02D+00  1.06D+00
 E= -681.638778568826     Delta-E=       -0.000000280246 Rises=F Damp=F
 DIIS: error= 7.95D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -681.638778568826     IErMin= 5 ErrMin= 7.95D-06
 ErrMax= 7.95D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.07D-07 BMatP= 5.20D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.484D-03 0.406D-01 0.474D-01 0.344D+00 0.569D+00
 Coeff:     -0.484D-03 0.406D-01 0.474D-01 0.344D+00 0.569D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=8.24D-07 MaxDP=7.56D-05 DE=-2.80D-07 OVMax= 4.44D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.22D-07    CP:  1.04D+00  1.03D+00  1.03D+00  1.07D+00  9.30D-01
 E= -681.638778646495     Delta-E=       -0.000000077669 Rises=F Damp=F
 DIIS: error= 2.69D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -681.638778646495     IErMin= 6 ErrMin= 2.69D-06
 ErrMax= 2.69D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.95D-09 BMatP= 1.07D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.497D-04-0.832D-02 0.921D-02 0.943D-01 0.278D+00 0.627D+00
 Coeff:      0.497D-04-0.832D-02 0.921D-02 0.943D-01 0.278D+00 0.627D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=2.41D-07 MaxDP=1.73D-05 DE=-7.77D-08 OVMax= 1.13D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.30D-07    CP:  1.04D+00  1.03D+00  1.03D+00  1.07D+00  9.30D-01
                    CP:  9.28D-01
 E= -681.638778653270     Delta-E=       -0.000000006775 Rises=F Damp=F
 DIIS: error= 2.65D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -681.638778653270     IErMin= 7 ErrMin= 2.65D-07
 ErrMax= 2.65D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.04D-11 BMatP= 8.95D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.178D-04-0.257D-02 0.237D-02 0.194D-01 0.636D-01 0.171D+00
 Coeff-Com:  0.746D+00
 Coeff:      0.178D-04-0.257D-02 0.237D-02 0.194D-01 0.636D-01 0.171D+00
 Coeff:      0.746D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=3.04D-08 MaxDP=2.29D-06 DE=-6.77D-09 OVMax= 1.71D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.23D-08    CP:  1.04D+00  1.03D+00  1.03D+00  1.07D+00  9.31D-01
                    CP:  9.47D-01  1.01D+00
 E= -681.638778653543     Delta-E=       -0.000000000273 Rises=F Damp=F
 DIIS: error= 1.43D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -681.638778653543     IErMin= 8 ErrMin= 1.43D-07
 ErrMax= 1.43D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.33D-11 BMatP= 6.04D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.557D-05-0.706D-03 0.451D-03 0.315D-02 0.123D-01 0.409D-01
 Coeff-Com:  0.364D+00 0.580D+00
 Coeff:      0.557D-05-0.706D-03 0.451D-03 0.315D-02 0.123D-01 0.409D-01
 Coeff:      0.364D+00 0.580D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=9.66D-09 MaxDP=4.49D-07 DE=-2.73D-10 OVMax= 4.92D-07

 SCF Done:  E(RB3LYP) =  -681.638778654     A.U. after    8 cycles
            NFock=  8  Conv=0.97D-08     -V/T= 2.1198
 KE= 6.086969685926D+02 PE=-3.907267690260D+03 EE= 1.418477228955D+03
 Leave Link  502 at Thu Jul 22 20:50:36 2021, MaxMem=  5637144576 cpu:            4698.6 elap:             588.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   700
 NBasis=   700 NAE=    58 NBE=    58 NFC=     0 NFV=     0
 NROrb=    700 NOA=    58 NOB=    58 NVA=   642 NVB=   642

 **** Warning!!: The largest alpha MO coefficient is  0.65662545D+02

 Leave Link  801 at Thu Jul 22 20:50:36 2021, MaxMem=  5637144576 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
 Defaulting to unpruned grid for atomic number  45.
        11251 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          37
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   42195 NPrTT=  103180 LenC2=   42196 LenP2D=  103180.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 6.21D-13 8.33D-09 XBig12= 1.00D+00 3.65D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 6.21D-13 8.33D-09 XBig12= 2.55D-01 1.06D-01.
     11 vectors produced by pass  2 Test12= 6.21D-13 8.33D-09 XBig12= 1.03D-01 7.39D-02.
     11 vectors produced by pass  3 Test12= 6.21D-13 8.33D-09 XBig12= 1.93D-02 1.77D-02.
     11 vectors produced by pass  4 Test12= 6.21D-13 8.33D-09 XBig12= 2.56D-03 9.03D-03.
     11 vectors produced by pass  5 Test12= 6.21D-13 8.33D-09 XBig12= 6.13D-04 7.27D-03.
     11 vectors produced by pass  6 Test12= 6.21D-13 8.33D-09 XBig12= 2.38D-04 4.24D-03.
     11 vectors produced by pass  7 Test12= 6.21D-13 8.33D-09 XBig12= 4.81D-05 1.26D-03.
     11 vectors produced by pass  8 Test12= 6.21D-13 8.33D-09 XBig12= 2.58D-06 4.82D-04.
     11 vectors produced by pass  9 Test12= 6.21D-13 8.33D-09 XBig12= 1.23D-07 6.74D-05.
     11 vectors produced by pass 10 Test12= 6.21D-13 8.33D-09 XBig12= 7.31D-09 1.66D-05.
      6 vectors produced by pass 11 Test12= 6.21D-13 8.33D-09 XBig12= 2.31D-10 2.39D-06.
      1 vectors produced by pass 12 Test12= 6.21D-13 8.33D-09 XBig12= 8.05D-12 8.13D-07.
      1 vectors produced by pass 13 Test12= 6.21D-13 8.33D-09 XBig12= 1.49D-13 7.01D-08.
      1 vectors produced by pass 14 Test12= 6.21D-13 8.33D-09 XBig12= 5.86D-15 1.42D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   130 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.158796D+03
      2 -0.346048D-02  0.158741D+03
      3 -0.135825D-03  0.384220D-02  0.122187D+03
 Isotropic polarizability for W=    0.085645      146.57 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.347672D+02 -0.858584D+02 -0.773147D-02
      2  -0.347994D+02  0.858753D+02  0.977650D-02
      3   0.321420D-01 -0.168816D-01 -0.204503D-02
      4  -0.858303D+02 -0.348226D+02  0.396330D-02
      5  -0.104238D-01  0.619632D+01  0.168505D-01
      6  -0.618241D+01  0.113349D-02 -0.127803D-01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.345509D+01 -0.416357D-01 -0.175622D-01
      2   0.139175D-01  0.342677D+01 -0.989951D-02
      3   0.460834D-01  0.123914D-01 -0.590801D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.619235D+01 -0.864300D-02 -0.410124D-02
      2   0.269236D-02  0.618637D+01 -0.152915D-01
      3   0.280684D-01  0.231922D-01 -0.123787D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.307466D+00  0.618570D-02 -0.413441D-02
      2   0.618570D-02  0.320132D+00  0.364610D-03
      3  -0.413441D-02  0.364610D-03  0.346247D+00
 OR G Eigenvalues:     0.3046     0.3226     0.3467  Iso=    -0.3246
 Eigenvectors:
   (1)   0.924333  -0.369592   0.094924
   (2)   0.366403   0.929127   0.049716
   (3)  -0.106571  -0.011173   0.994242
 w=    0.085645 a.u., Optical Rotation Beta=     -0.3246 au.
 Molar Mass =    283.2013 grams/mole, [Alpha] ( 5320.0 A) =      -54.36 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  245350 ScalPx= 2.89D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  245350 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 9.07D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.03D-13 2.78D-09 XBig12= 1.00D+00 3.84D-01.
     30 vectors produced by pass  1 Test12= 1.03D-13 2.78D-09 XBig12= 1.00D+00 5.03D-01.
     30 vectors produced by pass  2 Test12= 1.03D-13 2.78D-09 XBig12= 9.09D-03 1.21D-02.
     30 vectors produced by pass  3 Test12= 1.03D-13 2.78D-09 XBig12= 7.25D-04 5.25D-03.
     30 vectors produced by pass  4 Test12= 1.03D-13 2.78D-09 XBig12= 1.14D-05 6.48D-04.
     30 vectors produced by pass  5 Test12= 1.03D-13 2.78D-09 XBig12= 8.06D-08 4.59D-05.
     30 vectors produced by pass  6 Test12= 1.03D-13 2.78D-09 XBig12= 6.86D-10 3.69D-06.
     30 vectors produced by pass  7 Test12= 1.03D-13 2.78D-09 XBig12= 3.43D-12 2.58D-07.
     10 vectors produced by pass  8 Test12= 1.03D-13 2.78D-09 XBig12= 1.29D-14 1.34D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.89D-15
 Solved reduced A of dimension   250 with    30 vectors.
 ECPInt:  NShTT=   42195 NPrTT=  103180 LenC2=   42196 LenP2D=  103180.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  245350 ScalPx= 1.00D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  245350 ScalPx= 1.00D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  245350 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 4.08D+02
 FullF1:  Do perturbations      1 to      30.
 ECPInt:  NShTT=   42195 NPrTT=  103180 LenC2=   42196 LenP2D=  103180.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.158796D+03 -0.346048D-02 -0.135825D-03
      2  -0.346048D-02  0.158741D+03  0.384220D-02
      3  -0.135825D-03  0.384220D-02  0.122187D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.345509D+01 -0.416357D-01 -0.175622D-01
      2   0.139175D-01  0.342677D+01 -0.989951D-02
      3   0.460834D-01  0.123914D-01 -0.590801D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.347672D+02 -0.858584D+02 -0.773147D-02
      2  -0.347994D+02  0.858753D+02  0.977650D-02
      3   0.321420D-01 -0.168816D-01 -0.204503D-02
      4  -0.858303D+02 -0.348226D+02  0.396330D-02
      5  -0.104238D-01  0.619632D+01  0.168505D-01
      6  -0.618241D+01  0.113349D-02 -0.127803D-01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.102961D+01  0.243968D+01 -0.179553D+01  0.851963D+00  0.114646D+01
      2   0.243968D+01  0.270964D+01 -0.368189D+01  0.114646D+01  0.368418D+01
      3  -0.179553D+01 -0.368189D+01 -0.843896D-01 -0.365847D+01 -0.643605D+00
                 6             7             8             9            10 
      1  -0.365847D+01 -0.199455D+01 -0.487974D+01  0.433443D+00  0.494855D+01
      2  -0.643605D+00 -0.487974D+01 -0.144042D+01  0.292416D+01  0.703719D+00
      3   0.179335D+01  0.433443D+00  0.292416D+01 -0.333179D+00  0.260025D+01
                11            12            13            14            15 
      1   0.703719D+00  0.260025D+01  0.261166D+01  0.153843D+01  0.345206D+01
      2   0.432804D+00  0.344051D+01  0.153843D+01 -0.215930D+00 -0.166409D+00
      3   0.344051D+01  0.170667D+01  0.345206D+01 -0.166409D+00 -0.560970D+00
                16            17            18            19            20 
      1   0.396822D+01  0.433448D+01  0.293809D+01 -0.106777D+02 -0.225661D+01
      2   0.433448D+01 -0.544822D+00 -0.357592D+00 -0.225661D+01  0.307541D+00
      3   0.293809D+01 -0.357592D+00  0.333798D+00 -0.453724D+01 -0.242068D+01
                21            22            23            24            25 
      1  -0.453724D+01 -0.493539D+01 -0.844070D+00 -0.303930D+01 -0.306970D+01
      2  -0.242068D+01 -0.844070D+00 -0.155937D+01  0.969078D-02 -0.144028D+01
      3  -0.185264D+01 -0.303930D+01  0.969078D-02  0.256426D+00 -0.221108D+01
                26            27            28            29            30 
      1  -0.144028D+01 -0.221108D+01 -0.706109D+00  0.181464D+01  0.171369D-01
      2   0.123270D+00  0.992640D+00  0.181464D+01  0.732914D+00 -0.177658D+01
      3   0.992640D+00  0.796084D+00  0.171369D-01 -0.177658D+01 -0.317206D-02
                31            32            33            34            35 
      1   0.182920D+01  0.743989D+00  0.180244D+01 -0.297829D-01 -0.466731D-02
      2   0.743989D+00 -0.183921D+01 -0.143934D-02 -0.466731D-02 -0.243223D-01
      3   0.180244D+01 -0.143934D-02 -0.402016D-02  0.106020D-02 -0.172174D-02
                36            37            38            39            40 
      1   0.106020D-02 -0.256127D+01 -0.276417D+01  0.169484D+01 -0.974937D+00
      2  -0.172174D-02 -0.276417D+01 -0.641404D+01  0.380237D+01 -0.414627D+01
      3  -0.352229D-03  0.169484D+01  0.380237D+01 -0.239036D+00  0.319360D+01
                41            42            43            44            45 
      1  -0.414627D+01  0.319360D+01  0.863122D+00  0.206703D+01  0.367604D+00
      2  -0.730794D+01  0.281656D+01  0.206703D+01  0.213083D+01 -0.239850D+01
      3   0.281656D+01 -0.185624D+01  0.367604D+00 -0.239850D+01 -0.793094D+00
                46            47            48            49            50 
      1   0.119874D+02  0.727862D+00  0.557943D+01 -0.211910D+01  0.902132D-01
      2   0.727862D+00 -0.332414D+00 -0.958513D+00  0.902132D-01 -0.148295D+01
      3   0.557943D+01 -0.958513D+00  0.173043D+01 -0.156181D+01 -0.106245D+01
                51            52            53            54            55 
      1  -0.156181D+01  0.359119D+01 -0.475500D+00  0.189308D+01 -0.564461D+01
      2  -0.106245D+01 -0.475500D+00 -0.622886D+00  0.152251D+01 -0.317492D+00
      3   0.726934D+00  0.189308D+01  0.152251D+01 -0.790891D+00 -0.411578D+01
                56            57            58            59            60 
      1  -0.317492D+00 -0.411578D+01  0.182277D+01 -0.757226D+00  0.233197D+01
      2  -0.169195D+00  0.231518D+01 -0.757226D+00 -0.860456D+00  0.168160D+01
      3   0.231518D+01 -0.150934D+01  0.233197D+01  0.168160D+01 -0.970116D+00
                61            62            63            64            65 
      1  -0.580337D+01  0.266738D+01 -0.275220D+01 -0.267725D+01  0.288203D+01
      2   0.266738D+01  0.238433D+01 -0.108442D+01  0.288203D+01 -0.209941D+01
      3  -0.275220D+01 -0.108442D+01 -0.337906D+00  0.351501D+01 -0.292397D+01
                66            67            68            69            70 
      1   0.351501D+01  0.962040D+00 -0.995705D+00 -0.290861D+01  0.433710D+01
      2  -0.292397D+01 -0.995705D+00  0.249541D+01 -0.108435D+01 -0.411476D+01
      3  -0.372362D+00 -0.290861D+01 -0.108435D+01  0.175351D+01 -0.116589D+01
                71            72            73            74            75 
      1  -0.411476D+01 -0.116589D+01  0.490288D+01 -0.457068D+01 -0.349379D+01
      2  -0.925218D+00  0.271803D+01 -0.457068D+01  0.588143D+01  0.363759D+01
      3   0.271803D+01  0.337413D+00 -0.349379D+01  0.363759D+01  0.701929D+00
                76            77            78            79            80 
      1  -0.225093D+01  0.415282D+01  0.302592D+01 -0.192589D+01  0.210251D+01
      2   0.415282D+01 -0.347811D+01 -0.102822D+01  0.210251D+01 -0.102851D+01
      3   0.302592D+01 -0.102822D+01 -0.173031D+01  0.251129D+00 -0.240957D+01
                81            82            83            84            85 
      1   0.251129D+00 -0.121491D+01  0.911801D+00  0.123023D+01  0.125413D+01
      2  -0.240957D+01  0.911801D+00  0.780015D+00 -0.293836D+00  0.365787D+01
      3   0.790918D+00  0.123023D+01 -0.293836D+00  0.114832D+01 -0.909195D+00
                86            87            88            89            90 
      1   0.365787D+01 -0.909195D+00  0.555705D+00 -0.658481D+00  0.196322D+01
      2   0.109423D+02 -0.574917D+01 -0.658481D+00 -0.353114D+01  0.141805D+01
      3  -0.574917D+01  0.147093D+01  0.196322D+01  0.141805D+01  0.794830D+00
                91            92            93            94            95 
      1  -0.119832D+01 -0.408337D+00 -0.245751D+01 -0.405720D+00 -0.162275D+01
      2  -0.408337D+00  0.596447D+00 -0.541384D+00 -0.162275D+01 -0.545488D+01
      3  -0.245751D+01 -0.541384D+00 -0.133831D+01 -0.523559D+00  0.489122D+01
                96            97            98            99           100 
      1  -0.523559D+00 -0.316825D+01 -0.219904D+00 -0.177879D+01  0.162483D+01
      2   0.489122D+01 -0.219904D+00  0.659200D+01 -0.236609D+01 -0.587829D+00
      3  -0.120291D+01 -0.177879D+01 -0.236609D+01  0.328654D+00  0.224221D+01
               101           102           103           104           105 
      1  -0.587829D+00  0.224221D+01 -0.114611D+01  0.258945D+01  0.135284D+01
      2   0.439491D+00  0.133822D+01  0.258945D+01 -0.436092D+01 -0.467891D+01
      3   0.133822D+01  0.160028D+01  0.135284D+01 -0.467891D+01 -0.816456D+00
               106           107           108           109           110 
      1   0.264706D+01  0.220833D+01  0.232228D+01 -0.326358D+00  0.265888D+01
      2   0.220833D+01 -0.606524D+01 -0.183266D+01  0.265888D+01 -0.236022D+01
      3   0.232228D+01 -0.183266D+01 -0.326959D+00 -0.486426D+00 -0.193559D+01
               111           112           113           114           115 
      1  -0.486426D+00  0.371905D+01 -0.506321D+01 -0.254836D+01  0.105583D-01
      2  -0.193559D+01 -0.506321D+01  0.819667D+01  0.501023D+01 -0.158551D+01
      3  -0.149285D+01 -0.254836D+01  0.501023D+01  0.113450D+01 -0.226733D+01
               116           117           118           119           120 
      1  -0.158551D+01 -0.226733D+01 -0.468624D+00 -0.947058D+00  0.279845D+00
      2   0.293718D+01  0.875742D+00 -0.947058D+00 -0.401292D+00  0.418805D+00
      3   0.875742D+00 -0.800836D+00  0.279845D+00  0.418805D+00 -0.274059D+00
               121           122           123           124           125 
      1  -0.146526D+01  0.552404D+00  0.109325D+00  0.741458D+00  0.261087D+00
      2   0.552404D+00 -0.510890D+01  0.163596D+01  0.261087D+00  0.276812D+01
      3   0.109325D+00  0.163596D+01 -0.148466D+01  0.255359D+00 -0.200862D+01
               126           127           128           129           130 
      1   0.255359D+00  0.695763D+01 -0.337279D+01 -0.242703D+01 -0.269684D+01
      2  -0.200862D+01 -0.337279D+01  0.280271D+01  0.143749D+01  0.278076D+01
      3   0.210506D+01 -0.242703D+01  0.143749D+01  0.174380D+01  0.134968D+01
               131           132           133           134           135 
      1   0.278076D+01  0.134968D+01 -0.399188D+01  0.284599D+01  0.278429D+01
      2  -0.348359D+01 -0.119636D+01  0.284599D+01 -0.209009D+01 -0.219572D+01
      3  -0.119636D+01 -0.119287D+01  0.278429D+01 -0.219572D+01 -0.267223D+01
               136           137           138           139           140 
      1   0.308808D+01  0.131153D+01 -0.699444D+00  0.234785D+01  0.125957D+01
      2   0.131153D+01  0.957213D+00 -0.525021D+00  0.125957D+01  0.289511D+01
      3  -0.699444D+00 -0.525021D+00  0.861163D+00 -0.831394D+00 -0.121601D+01
               141           142           143           144           145 
      1  -0.831394D+00 -0.149605D+01 -0.101384D+01  0.160485D+01  0.997180D+01
      2  -0.121601D+01 -0.101384D+01 -0.200461D+01  0.123226D+01 -0.122081D+01
      3   0.123829D+01  0.160485D+01  0.123226D+01 -0.210218D+01  0.320125D+01
               146           147           148           149           150 
      1  -0.122081D+01  0.320125D+01 -0.171430D+01  0.175533D+01 -0.671684D+00
      2   0.129156D+01 -0.583162D+00  0.175533D+01 -0.867821D+00  0.422699D+00
      3  -0.583162D+00  0.207548D+01 -0.671684D+00  0.422699D+00 -0.398079D+00
               151           152           153           154           155 
      1   0.587741D+01 -0.974585D+00  0.351955D+01  0.383017D+01  0.135218D+01
      2  -0.974585D+00  0.202573D+00 -0.430760D+00  0.135218D+01  0.228442D+01
      3   0.351955D+01 -0.430760D+00  0.267315D+01  0.152584D+01  0.609630D+00
               156           157           158           159           160 
      1   0.152584D+01  0.788591D+00  0.136231D+01  0.300428D+00  0.248716D+01
      2   0.609630D+00  0.136231D+01  0.174392D+01  0.394279D+00  0.745449D+00
      3   0.142246D+01  0.300428D+00  0.394279D+00  0.506562D+00  0.161346D+01
               161           162           163           164           165 
      1   0.745449D+00  0.161346D+01  0.303190D+00  0.155629D+01 -0.297823D+00
      2   0.102420D+01  0.122567D+01  0.155629D+01  0.179031D+00 -0.122980D+00
      3   0.122567D+01  0.211105D+01 -0.297823D+00 -0.122980D+00  0.164291D+00
               166           167           168           169           170 
      1   0.123746D+01  0.774291D+00 -0.209775D+00 -0.101852D+00 -0.602747D+00
      2   0.774291D+00  0.103031D+02 -0.332531D+01 -0.602747D+00 -0.597678D+01
      3  -0.209775D+00 -0.332531D+01  0.210662D+01  0.513175D+00  0.350636D+01
               171           172           173           174           175 
      1   0.513175D+00 -0.463301D+01  0.112942D+01 -0.167501D+01  0.345310D+00
      2   0.350636D+01  0.112942D+01 -0.192311D+01  0.269190D+00 -0.116836D+01
      3  -0.266986D+01 -0.167501D+01  0.269190D+00 -0.150404D+01 -0.363636D-01
               176           177           178           179           180 
      1  -0.116836D+01 -0.363636D-01 -0.275859D+01  0.288957D+00 -0.187162D+01
      2   0.521911D+00 -0.244683D+00  0.288957D+00 -0.757841D+00  0.773158D+00
      3  -0.244683D+00  0.126051D+00 -0.187162D+01  0.773158D+00 -0.211096D+01
               181           182           183           184           185 
      1  -0.158589D+01  0.202000D+01  0.574508D+00  0.186260D+01 -0.247320D+01
      2   0.202000D+01 -0.181793D+01 -0.846780D+00 -0.247320D+01  0.918126D+01
      3   0.574508D+00 -0.846780D+00 -0.694789D+00 -0.932538D+00  0.304669D+01
               186           187           188           189           190 
      1  -0.932538D+00  0.777182D+00 -0.196980D+01 -0.138722D+01 -0.423935D+01
      2   0.304669D+01 -0.196980D+01  0.529942D+01  0.325857D+01  0.904076D+00
      3   0.199364D+01 -0.138722D+01  0.325857D+01  0.266747D+01  0.106753D+01
               191           192           193           194           195 
      1   0.904076D+00  0.106753D+01  0.199250D+01 -0.102997D+01 -0.870953D+00
      2  -0.100291D+01 -0.563627D+00 -0.102997D+01  0.205599D+01  0.851689D+00
      3  -0.563627D+00 -0.114722D+01 -0.870953D+00  0.851689D+00  0.980295D+00
               196           197           198           199           200 
      1   0.203729D+01 -0.100407D+01 -0.186494D+01 -0.832153D+01 -0.264717D+01
      2  -0.100407D+01  0.148312D+01  0.786033D+00 -0.264717D+01 -0.191596D+01
      3  -0.186494D+01  0.786033D+00  0.210959D+01 -0.271393D+01 -0.118412D+01
               201           202           203           204           205 
      1  -0.271393D+01 -0.299981D+01 -0.248749D+01 -0.126978D+01 -0.503372D+01
      2  -0.118412D+01 -0.248749D+01 -0.234408D+01 -0.908797D+00 -0.224244D+01
      3  -0.190662D+01 -0.126978D+01 -0.908797D+00 -0.910362D+00 -0.329375D+01
               206           207           208           209           210 
      1  -0.224244D+01 -0.329375D+01  0.126250D+01 -0.880395D+00 -0.499125D+00
      2  -0.104738D+01 -0.130856D+01 -0.880395D+00  0.124833D+01  0.714281D+00
      3  -0.130856D+01 -0.267106D+01 -0.499125D+00  0.714281D+00  0.640691D+00
               211           212           213           214           215 
      1  -0.113471D+01  0.199101D+00  0.406674D+00 -0.998195D+00  0.722349D+00
      2   0.199101D+00 -0.498340D+01 -0.141862D+01  0.722349D+00 -0.250622D+01
      3   0.406674D+00 -0.141862D+01 -0.136609D+01  0.261778D+00 -0.200797D+01
               216           217           218           219           220 
      1   0.261778D+00 -0.451651D+01 -0.326264D+01  0.166331D+01 -0.261229D+01
      2  -0.200797D+01 -0.326264D+01 -0.335635D+01  0.156067D+01 -0.316104D+01
      3  -0.210524D+01  0.166331D+01  0.156067D+01 -0.138410D+01  0.147179D+01
               221           222           223           224           225 
      1  -0.316104D+01  0.147179D+01  0.247064D+01  0.294528D+01 -0.213377D+01
      2  -0.584243D+01  0.196044D+01  0.294528D+01  0.361063D+01 -0.283106D+01
      3   0.196044D+01 -0.159742D+01 -0.213377D+01 -0.283106D+01  0.267201D+01
               226           227           228           229           230 
      1   0.238737D+01 -0.325584D+00  0.334417D+00 -0.184679D+01  0.122310D+01
      2  -0.325584D+00  0.321931D+01 -0.212990D+01  0.122310D+01 -0.399751D+01
      3   0.334417D+00 -0.212990D+01  0.162487D+01 -0.989369D+00  0.155204D+01
               231           232           233           234           235 
      1  -0.989369D+00  0.449831D+00 -0.112372D+01  0.709375D+00 -0.135212D+01
      2   0.155204D+01 -0.112372D+01  0.802574D+00 -0.955456D+00 -0.292759D+00
      3  -0.140771D+01  0.709375D+00 -0.955456D+00  0.184005D+01  0.112557D+01
               236           237           238           239           240 
      1  -0.292759D+00  0.112557D+01  0.533632D+00  0.120876D+01 -0.888969D+00
      2  -0.325369D+00 -0.142420D+00  0.120876D+01  0.196002D+01 -0.251954D+00
      3  -0.142420D+00 -0.162968D+01 -0.888969D+00 -0.251954D+00  0.149758D+01
               241           242           243           244           245 
      1   0.137273D+01  0.311803D+00 -0.141335D+01 -0.231515D+01  0.140973D+01
      2   0.311803D+00  0.138309D+01 -0.389662D+00  0.140973D+01 -0.184079D+01
      3  -0.141335D+01 -0.389662D+00  0.593419D+01 -0.670073D+00  0.108091D+01
               246           247           248           249           250 
      1  -0.670073D+00  0.373906D+01 -0.894644D+00  0.222421D+01 -0.205372D+00
      2   0.108091D+01 -0.894644D+00  0.321472D+01 -0.121420D+01  0.105884D+01
      3  -0.927595D+00  0.222421D+01 -0.121420D+01  0.193988D+01 -0.733328D+00
               251           252           253           254           255 
      1   0.105884D+01 -0.733328D+00  0.224279D+01  0.519548D+00  0.421213D+00
      2  -0.105195D+01  0.937340D+00  0.519548D+00 -0.283147D+00  0.464669D+00
      3   0.937340D+00 -0.184193D+01  0.421213D+00  0.464669D+00  0.101058D+01
               256           257           258           259           260 
      1  -0.119061D+01 -0.677427D+00 -0.282889D+00 -0.153846D+01 -0.265295D+00
      2  -0.677427D+00 -0.109988D+01 -0.129344D+01 -0.265295D+00 -0.121155D+01
      3  -0.282889D+00 -0.129344D+01 -0.197289D+01 -0.753321D+00 -0.126464D+01
               261           262           263           264           265 
      1  -0.753321D+00 -0.556181D+01  0.370142D+00  0.259565D+01 -0.596514D+00
      2  -0.126464D+01  0.370142D+00 -0.230437D+01 -0.317150D+00  0.941652D-02
      3  -0.594102D+01  0.259565D+01 -0.317150D+00 -0.202847D+01  0.823580D+00
               266           267           268           269           270 
      1   0.941652D-02  0.823580D+00  0.168753D+01  0.411725D+00 -0.118044D+01
      2  -0.134400D+01 -0.712998D+00  0.411725D+00 -0.435377D+00 -0.138368D+00
      3  -0.712998D+00 -0.703821D+00 -0.118044D+01 -0.138368D+00  0.183848D+01
               271           272           273           274           275 
      1   0.646597D+00 -0.911715D+00  0.536564D+00  0.531732D-02  0.868520D+00
      2  -0.911715D+00  0.235528D+01  0.122750D+01  0.868520D+00  0.203346D+00
      3   0.536564D+00  0.122750D+01  0.211076D+01  0.479953D+00  0.336669D+00
               276           277           278           279           280 
      1   0.479953D+00  0.111031D+01 -0.163519D+00  0.365990D+00  0.516857D+01
      2   0.336669D+00 -0.163519D+00  0.164920D+01  0.142521D+01  0.103926D+01
      3   0.666521D+00  0.365990D+00  0.142521D+01  0.594252D+01 -0.250624D+01
               281           282           283           284           285 
      1   0.103926D+01 -0.250624D+01  0.698125D+00  0.454262D+00 -0.220020D-01
      2   0.294063D+01 -0.116183D+01  0.454262D+00 -0.566171D+00  0.621735D+00
      3  -0.116183D+01  0.214132D+01 -0.220020D-01  0.621735D+00 -0.163333D+00
               286           287           288           289           290 
      1  -0.175692D+01 -0.164055D+00  0.117779D+01 -0.403547D+00 -0.156710D+00
      2  -0.164055D+00  0.500972D+00  0.166662D+00 -0.156710D+00 -0.253626D+01
      3   0.117779D+01  0.166662D+00 -0.183855D+01 -0.941798D+00  0.106796D+01
               291           292           293           294           295 
      1  -0.941798D+00  0.358900D+00 -0.872854D+00  0.322187D+00 -0.106071D+01
      2   0.106796D+01 -0.872854D+00 -0.907576D+00  0.724433D-01 -0.917291D-02
      3  -0.220547D+01  0.322187D+00  0.724433D-01  0.111593D+00 -0.714863D+00
               296           297           298           299           300 
      1  -0.917291D-02 -0.714863D+00  0.709167D+00  0.107218D+01 -0.104323D+00
      2  -0.168607D+01  0.128314D+01  0.107218D+01  0.153561D+01  0.735264D+00
      3   0.128314D+01 -0.593915D+01 -0.104323D+00  0.735264D+00  0.404661D+00
               301           302           303           304           305 
      1   0.355853D+01  0.122049D+01  0.187485D+01 -0.257122D+00  0.713449D+00
      2   0.122049D+01  0.422400D+01  0.199226D+01  0.713449D+00  0.151669D+01
      3   0.187485D+01  0.199226D+01  0.211501D+01  0.472556D+00  0.109454D+01
               306           307           308           309           310 
      1   0.472556D+00 -0.186892D+01 -0.308956D+00 -0.354362D+00 -0.205460D+01
      2   0.109454D+01 -0.308956D+00  0.559336D+00  0.350189D-01  0.506112D+00
      3   0.184506D+01 -0.354362D+00  0.350189D-01 -0.476176D+00 -0.714543D+00
               311           312           313           314           315 
      1   0.506112D+00 -0.714543D+00  0.165416D+01 -0.152283D+00  0.104774D+01
      2  -0.657447D+00  0.123132D+01 -0.152283D+00  0.110773D+01 -0.103354D+01
      3   0.123132D+01 -0.216616D+01  0.104774D+01 -0.103354D+01  0.593712D+01
               316           317           318           319           320 
      1  -0.186290D+01  0.549245D-01  0.354751D+00 -0.192080D+01 -0.540941D+00
      2   0.549245D-01 -0.208905D+01 -0.163041D+01 -0.540941D+00 -0.515476D+01
      3   0.354751D+00 -0.163041D+01 -0.121749D+01 -0.488418D+00 -0.224148D+01
               321           322           323           324           325 
      1  -0.488418D+00  0.789624D-01 -0.894315D+00 -0.445330D+00  0.107478D+01
      2  -0.224148D+01 -0.894315D+00 -0.133726D+01 -0.110718D+01  0.353797D+00
      3  -0.177730D+01 -0.445330D+00 -0.110718D+01 -0.184506D+01 -0.784143D+00
               326           327           328           329           330 
      1   0.353797D+00 -0.784143D+00  0.154602D+01 -0.135850D+01 -0.116351D+01
      2  -0.818979D-01 -0.415413D+00 -0.135850D+01  0.129543D+01 -0.891339D-01
      3  -0.415413D+00  0.120012D+01 -0.116351D+01 -0.891339D-01  0.186403D+01
               331           332           333 
      1  -0.152719D+01  0.274033D+00  0.147139D+01
      2   0.274033D+00 -0.122824D+01 -0.179926D-01
      3   0.147139D+01 -0.179926D-01 -0.593699D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.452133D+01 -0.518901D+01 -0.479545D+01 -0.694676D+01  0.352858D+01
      2   0.535109D+01  0.402816D+01  0.707742D+01  0.471305D+01 -0.489865D+01
      3   0.339253D+01 -0.796771D+01  0.224435D+01 -0.159936D+01  0.316033D+01
                 6             7             8             9            10 
      1   0.202781D+01 -0.538705D+01  0.356712D+01  0.109754D+01 -0.190663D+01
      2  -0.188745D+01  0.310456D+01 -0.537073D+00 -0.879381D+00  0.392499D+00
      3   0.948283D+01 -0.391866D+00  0.136211D+02  0.600484D+01 -0.719980D+00
                11            12            13            14            15 
      1   0.433094D+01 -0.240177D+00  0.413929D+01  0.207458D+01 -0.567531D+01
      2  -0.963951D+01 -0.639816D+00 -0.777652D+01 -0.146796D+01  0.692467D+01
      3   0.896768D+00  0.972906D+01  0.719428D+01 -0.585924D+01 -0.360437D+00
                16            17            18            19            20 
      1  -0.855254D+00 -0.142026D+01 -0.590208D+00  0.540144D+01 -0.960893D+01
      2  -0.177094D+01  0.681865D+01  0.133754D+01  0.169777D+02  0.494940D+01
      3   0.130407D+02 -0.400410D+01 -0.602959D+01 -0.132978D+02  0.736582D+01
                21            22            23            24            25 
      1   0.676780D+01 -0.161500D+02 -0.285645D+00 -0.945801D+01  0.463380D+01
      2  -0.269754D+00 -0.269305D+01  0.741363D+00 -0.892111D+01 -0.254487D+02
      3  -0.942889D+01  0.274986D+02  0.436427D+01  0.105431D+02 -0.308283D+01
                26            27            28            29            30 
      1   0.459204D-01  0.351768D+00  0.115793D+00 -0.474702D+00 -0.570938D-01
      2  -0.101514D+02 -0.186377D+02 -0.211708D+00 -0.372429D+00  0.900645D+00
      3   0.649627D+01  0.260811D+01 -0.110324D+00  0.711925D+00  0.151434D+00
                31            32            33            34            35 
      1  -0.332508D+00 -0.266811D+00 -0.823802D+00  0.105272D+00 -0.467920D+01
      2  -0.157887D+00  0.310358D+00 -0.152411D+00  0.500325D+01 -0.290197D+00
      3  -0.869609D+00  0.179180D+00  0.200196D-01  0.958878D-01 -0.319977D-01
                36            37            38            39            40 
      1  -0.287397D+00  0.670822D+00 -0.215781D+01  0.103350D+02  0.691040D+01
      2   0.107120D+00 -0.693941D+01 -0.127376D+02  0.474137D+01 -0.844265D+01
      3   0.103951D+00 -0.120768D+02 -0.205791D+02  0.765292D+01 -0.389279D+00
                41            42            43            44            45 
      1   0.177625D+02 -0.444254D+01  0.156339D+02  0.198558D+02 -0.178300D+02
      2   0.713466D+01 -0.808965D+01 -0.562653D+01 -0.100856D+02  0.513510D+01
      3   0.209483D+02 -0.118679D+02  0.535163D+01 -0.464192D+01 -0.262274D+01
                46            47            48            49            50 
      1  -0.291187D+01 -0.880443D+01 -0.333878D+01 -0.171673D+02 -0.637924D+01
      2   0.161773D+02 -0.314704D+01 -0.351638D+01  0.246172D+01 -0.413494D+00
      3   0.356592D+01  0.948989D+01  0.641842D+01  0.296770D+02  0.519642D+01
                51            52            53            54            55 
      1  -0.127047D+02  0.249970D+01 -0.198091D+01  0.448392D+01  0.617270D+00
      2   0.562603D+01 -0.275560D+02  0.314003D+01 -0.181433D+02 -0.394725D+01
      3   0.126343D+02  0.139856D+01  0.709814D+01 -0.267157D+01 -0.937532D+00
                56            57            58            59            60 
      1   0.232078D+01  0.133363D+01  0.260918D+01 -0.480800D+00 -0.351711D+01
      2   0.987150D+01  0.154138D+01  0.798697D+01  0.292173D+01 -0.801354D+01
      3  -0.880490D+00 -0.932823D+01  0.547757D+01  0.749925D+01 -0.282651D+01
                61            62            63            64            65 
      1   0.115309D+01  0.677087D+00  0.221814D+00  0.501320D+01 -0.210772D+01
      2   0.255286D+00 -0.705525D+01  0.141147D+01  0.834283D+01 -0.155590D+01
      3  -0.115852D+02 -0.719287D+01  0.598881D+01 -0.102723D+01 -0.741312D+01
                66            67            68            69            70 
      1   0.238880D+01 -0.361637D+01 -0.418576D+01  0.215098D+01  0.349553D+01
      2   0.719184D+01 -0.263660D+01 -0.772093D+01  0.428038D+01  0.393356D+01
      3  -0.455375D+01 -0.108171D+01 -0.553712D+01  0.861152D+01 -0.307783D+01
                71            72            73            74            75 
      1   0.427934D+01 -0.855093D+00  0.486076D-01 -0.306830D+00 -0.927139D+01
      2   0.243079D+01 -0.117642D+01 -0.116238D+02  0.817937D+01  0.205467D+00
      3   0.133126D+02 -0.599771D+01  0.151780D+02 -0.110859D+02 -0.446513D+01
                76            77            78            79            80 
      1   0.949287D+01 -0.178577D+02 -0.895991D+01 -0.175722D+02  0.126495D+02
      2   0.624738D+01  0.717784D+01  0.703557D+01 -0.129272D+02  0.119773D+02
      3   0.909016D+01 -0.239555D+02 -0.134472D+02 -0.405537D+01 -0.598120D+01
                81            82            83            84            85 
      1   0.160249D+02 -0.278129D+01  0.280106D+01 -0.810892D+00 -0.517630D+00
      2   0.964073D+01 -0.125711D+02 -0.156650D+02  0.137670D+02 -0.622947D+01
      3   0.263996D+01 -0.151690D+02 -0.264430D+02  0.138011D+02 -0.633974D+01
                86            87            88            89            90 
      1   0.155810D+02  0.464767D+01  0.452503D+01  0.255086D+02 -0.162701D+02
      2  -0.756149D+00 -0.136647D+01 -0.237414D-02 -0.100499D+02  0.902469D+01
      3   0.619950D+01  0.288921D+01  0.710996D+01 -0.557222D+00  0.261453D+01
                91            92            93            94            95 
      1   0.694609D+01  0.553660D+01  0.788086D+01  0.725364D+01 -0.794414D+01
      2  -0.101885D+01  0.113214D+01  0.100339D+01  0.375309D+00  0.142059D+01
      3  -0.806696D+01 -0.297913D+01 -0.516541D+01  0.335094D+01  0.149590D+01
                96            97            98            99           100 
      1  -0.400868D+01  0.627693D+01 -0.227372D+01  0.145382D+01 -0.868995D+01
      2  -0.119048D+01 -0.269985D+01 -0.330405D+00 -0.157616D+00 -0.280470D+01
      3  -0.825671D+01 -0.997346D+01 -0.930249D+01 -0.601814D+01  0.733443D+01
               101           102           103           104           105 
      1   0.143901D+01 -0.654095D+01  0.290731D+01  0.954175D+01 -0.608806D+01
      2  -0.131669D+01 -0.101952D+01 -0.139703D+00  0.342450D+01 -0.148212D+00
      3  -0.658770D+00  0.708751D+01  0.569941D+01 -0.787571D+00 -0.667068D+01
               106           107           108           109           110 
      1  -0.463564D+01 -0.359564D+01 -0.136517D+01  0.539116D+01  0.407385D+01
      2  -0.400201D+01 -0.132311D+01 -0.532465D+00 -0.163401D+02  0.128708D+02
      3   0.120172D+02 -0.642982D+01  0.603311D+01  0.218268D+02 -0.191067D+02
               111           112           113           114           115 
      1  -0.364204D+01  0.324065D+01 -0.143434D+02  0.330487D+01 -0.982588D+01
      2   0.125211D+02  0.280590D+01  0.250473D+00  0.589191D+01 -0.518300D+01
      3  -0.141390D+02  0.103404D+01 -0.129167D+02 -0.721467D+00 -0.682310D+01
               116           117           118           119           120 
      1   0.202787D+02  0.134874D+02  0.926718D+00  0.127621D+01 -0.151643D+01
      2   0.154020D+02  0.129263D+02  0.990897D+00  0.134182D+01 -0.647730D+00
      3  -0.238799D+01 -0.263806D+01  0.621796D+01  0.330726D+01 -0.230860D+01
               121           122           123           124           125 
      1   0.479942D+00  0.486120D+01 -0.516031D+01  0.133122D+00 -0.388227D+01
      2   0.681377D+00  0.541055D+01 -0.387553D+01 -0.178601D+01 -0.521383D+01
      3   0.383080D+01  0.132417D+02 -0.538991D+01 -0.381423D+01 -0.904798D+01
               126           127           128           129           130 
      1   0.623080D+01 -0.241596D+01  0.129731D+01  0.335457D+01  0.782230D+00
      2   0.686099D+01 -0.170796D+01  0.216230D+01  0.499340D+01  0.110947D+01
      3   0.513245D+01 -0.550574D+01 -0.208803D+01  0.649767D+00 -0.838842D+00
               131           132           133           134           135 
      1  -0.250906D+00 -0.267642D+01  0.183981D+01 -0.388201D+00 -0.405921D+01
      2  -0.117523D+01 -0.340841D+01  0.863102D-01 -0.166916D+01 -0.579292D+01
      3   0.436825D+01  0.916222D+00  0.410352D+01 -0.883549D+00  0.153075D+00
               136           137           138           139           140 
      1  -0.140414D+00 -0.232074D+00 -0.195886D+00 -0.141444D+00 -0.325707D+00
      2  -0.299150D+01 -0.244423D+01  0.347001D+01 -0.346974D+01 -0.561515D+01
      3  -0.620365D+01 -0.380716D+01  0.219757D+01 -0.327199D+01 -0.132660D+02
               141           142           143           144           145 
      1  -0.104947D+01 -0.278878D+00  0.164761D+01 -0.491716D+00  0.517235D+00
      2   0.558092D+01  0.376932D+01  0.534623D+01 -0.923099D+01  0.383492D+01
      3   0.543430D+01  0.373159D+01  0.907483D+01 -0.512786D+01 -0.930313D+00
               146           147           148           149           150 
      1   0.762170D+00  0.121305D+01  0.378374D+00 -0.350218D+00 -0.461495D+00
      2  -0.415631D+00  0.720506D+01 -0.151776D+01  0.772074D-01 -0.115586D+01
      3  -0.555152D+01 -0.193421D+00 -0.430249D+01  0.207502D+01 -0.110604D+01
               151           152           153           154           155 
      1  -0.219289D+00  0.152155D+01  0.125791D+01 -0.680570D+01 -0.233545D+01
      2   0.199664D+01  0.555207D-01  0.696426D+01  0.142407D+01  0.566720D+00
      3   0.350400D+01 -0.229043D+01 -0.160465D+00  0.145376D+02  0.981480D+00
               156           157           158           159           160 
      1  -0.580009D+01 -0.136176D+01 -0.163193D+01 -0.185217D+01 -0.633518D+01
      2   0.268244D+01  0.205109D+00  0.383048D+00  0.414474D+00  0.153446D+00
      3   0.582613D+01  0.153957D+01  0.487610D+01  0.690236D+00  0.974229D+01
               161           162           163           164           165 
      1  -0.196065D+01 -0.906550D+01 -0.144362D+00 -0.286722D+00 -0.726233D+00
      2   0.125773D+01  0.196508D+01  0.415459D-01  0.610734D+00  0.327850D+00
      3   0.120787D+01  0.513273D+01  0.641245D+00  0.437863D+01 -0.112110D+01
               166           167           168           169           170 
      1   0.889242D+00  0.398369D+01 -0.734433D+01 -0.934008D+00 -0.169381D+01
      2   0.695924D+00 -0.911168D+00  0.664624D+00 -0.120524D+01  0.109630D+01
      3   0.562980D+01 -0.177806D+01  0.102657D+00 -0.128742D+01  0.399466D+01
               171           172           173           174           175 
      1   0.704006D+01  0.674407D+01 -0.714980D+00  0.518964D+01  0.129493D+00
      2  -0.623022D+00  0.337671D+01 -0.453160D+00  0.415335D+01  0.127197D+00
      3   0.161223D+00 -0.145313D+02 -0.157489D+01 -0.581638D+01 -0.104443D+01
               176           177           178           179           180 
      1   0.987630D+00 -0.348734D+00  0.630535D+01  0.407880D-01  0.827339D+01
      2   0.531282D+00  0.210042D+00  0.213652D+01 -0.121706D+01  0.420497D+01
      3  -0.493026D+01 -0.828951D+00 -0.974690D+01 -0.133603D+01 -0.514447D+01
               181           182           183           184           185 
      1  -0.332032D+00  0.736971D+00  0.236040D+01  0.189749D+01 -0.314698D+01
      2   0.224001D+00 -0.109050D+00  0.112436D+01  0.108720D+00 -0.203507D+01
      3  -0.294607D+01  0.313445D+01  0.105329D+01  0.439247D+01  0.407730D+01
               186           187           188           189           190 
      1  -0.654351D+01  0.151183D+01 -0.998084D+00 -0.664369D+01  0.141010D+01
      2  -0.229828D+01 -0.521705D+00 -0.167274D+01 -0.238748D+01 -0.441387D+01
      3   0.383549D+00  0.224120D+00  0.418440D+01 -0.163027D+00  0.837396D+01
               191           192           193           194           195 
      1  -0.934917D+00 -0.769607D+00 -0.110633D+01  0.123733D+01  0.213408D+00
      2   0.256484D+01  0.472591D+01  0.355596D+01 -0.382435D+01 -0.463052D+01
      3  -0.508279D+01 -0.351399D+01 -0.452432D+01  0.110818D+02  0.471150D+01
               196           197           198           199           200 
      1  -0.141035D+01  0.269861D+01  0.282579D+01 -0.151457D+01  0.150827D+00
      2   0.477003D+01 -0.367940D+01 -0.884891D+01  0.283713D+01  0.130112D+01
      3  -0.590571D+01  0.787168D+01  0.514207D+01  0.316364D+01 -0.418053D+01
               201           202           203           204           205 
      1  -0.271715D+01 -0.510325D+00  0.349336D+00 -0.148091D+01 -0.658715D+00
      2   0.619192D+01  0.228037D+01  0.921399D+00  0.266175D+01  0.182922D+01
      3   0.469527D+00 -0.291791D+01 -0.428988D+01 -0.101669D+01 -0.281683D+01
               206           207           208           209           210 
      1   0.136033D+01 -0.297680D+01 -0.201900D+01  0.264110D+01  0.307703D+01
      2   0.826145D+00  0.640534D+01  0.130332D+01 -0.167277D+01 -0.843410D+00
      3  -0.310465D+01  0.155055D+00 -0.840585D+01  0.454194D+01  0.360863D+01
               211           212           213           214           215 
      1   0.169062D+01 -0.521591D+01 -0.536144D+01  0.157782D+01 -0.486541D+01
      2  -0.122435D+01  0.342002D+01  0.230438D+01 -0.272068D+01  0.348746D+01
      3   0.506782D+01 -0.110427D+02 -0.461650D+01  0.598667D+01 -0.777523D+01
               216           217           218           219           220 
      1  -0.774500D+01  0.193049D+01  0.217003D+01 -0.348939D+01  0.140314D+01
      2   0.504843D+01 -0.393733D+00 -0.158314D+01  0.318127D+01 -0.694547D+00
      3  -0.512837D+01  0.559459D+01  0.531701D+00 -0.864427D+00  0.177737D+01
               221           222           223           224           225 
      1   0.138589D+01 -0.449175D+01 -0.154600D+01 -0.124658D+01  0.540239D+01
      2  -0.171915D+01  0.354388D+01 -0.753565D+00  0.138346D+01 -0.457554D+01
      3  -0.444766D+01  0.724483D+00 -0.374657D+01 -0.189070D+01 -0.161467D+00
               226           227           228           229           230 
      1   0.701530D+00  0.454641D+01  0.322867D-01  0.893557D+00 -0.184642D+01
      2  -0.661698D+01  0.477017D+01 -0.258834D+01  0.411137D+01 -0.394054D+01
      3  -0.819216D+01  0.652719D+01 -0.421705D+01  0.605961D+01 -0.576501D+01
               231           232           233           234           235 
      1  -0.112854D+01  0.991933D+00 -0.755594D+00  0.153393D+01  0.218774D+01
      2   0.294574D+01 -0.254931D+01  0.185131D+01 -0.263064D+01  0.795898D+00
      3   0.315267D+01 -0.122234D+01  0.200574D+01 -0.303211D+01  0.184660D+01
               236           237           238           239           240 
      1  -0.126325D+01 -0.375709D+01 -0.206867D+01 -0.855276D+00  0.529935D+01
      2   0.498389D+00  0.422077D+00 -0.166122D+01 -0.171491D+01 -0.507753D-01
      3  -0.100375D+01 -0.229094D+01 -0.208695D+01 -0.267830D+01  0.258555D+01
               241           242           243           244           245 
      1  -0.305781D+01  0.115529D+01  0.122951D+02 -0.188261D+01  0.301940D+01
      2  -0.178954D+01 -0.245851D-01 -0.277433D+01  0.221955D+00  0.381997D+00
      3  -0.254076D+01 -0.144134D+00  0.268145D+01  0.272584D+01 -0.455467D+01
               246           247           248           249           250 
      1  -0.177987D+01  0.462598D+01 -0.863379D+01  0.309307D+01 -0.941995D+00
      2   0.161657D+01  0.375657D+01  0.147487D+01 -0.116714D+01  0.729905D+00
      3   0.193115D+01 -0.503702D+01  0.112471D+02 -0.490497D+01  0.159956D+01
               251           252           253           254           255 
      1   0.255334D+01 -0.212978D+01 -0.215637D+01 -0.120112D+01 -0.117167D+01
      2  -0.191352D+01  0.217199D+01 -0.925309D+00 -0.782848D+00 -0.394809D+01
      3  -0.171565D+01  0.303650D+01  0.314787D+01  0.715294D+00  0.188624D+01
               256           257           258           259           260 
      1   0.112688D+01  0.165919D+01  0.923473D+00  0.407606D+00  0.251868D+01
      2  -0.567839D+00  0.245501D+01  0.494240D+01 -0.384039D+00  0.266450D+01
      3  -0.392741D+00 -0.230409D+01 -0.289312D+01 -0.853531D+00 -0.239311D+01
               261           262           263           264           265 
      1   0.581020D+00 -0.555275D+01 -0.342443D+01  0.382460D+01 -0.216932D+01
      2   0.125812D+02  0.733801D+01  0.168281D+00 -0.107003D+01  0.367283D+01
      3  -0.268101D+01 -0.118473D+02 -0.395942D+01  0.483753D+01 -0.444465D+01
               266           267           268           269           270 
      1  -0.307389D+01  0.396046D+00  0.307300D+01  0.135997D+01 -0.303504D+01
      2  -0.102531D+01 -0.851436D+00 -0.437534D+00 -0.194159D+00  0.892067D-03
      3  -0.219727D+01  0.205621D+01  0.234337D+01  0.347937D-01 -0.304890D+01
               271           272           273           274           275 
      1  -0.119670D+01  0.878803D+00 -0.344314D+01 -0.582390D+00 -0.309365D+00
      2  -0.911573D+00 -0.342961D+01 -0.548624D+01 -0.160094D+01  0.146679D+00
      3  -0.195166D+00  0.327190D+01  0.339144D+01  0.215999D+01 -0.604055D+00
               276           277           278           279           280 
      1  -0.612788D+00 -0.509308D+00  0.314776D+00 -0.855168D+01  0.457207D+01
      2  -0.343582D+00 -0.262878D+01 -0.257783D+01 -0.927996D+01  0.920223D+01
      3   0.687627D+00  0.115227D+01  0.226601D+01  0.268831D+01  0.132896D+02
               281           282           283           284           285 
      1  -0.293991D+01 -0.335110D+01 -0.802954D+00  0.215100D+01 -0.721503D+00
      2   0.142411D+01 -0.214791D+01 -0.161975D+01 -0.915504D+00  0.392538D+00
      3  -0.109952D+01 -0.519049D+01 -0.152229D+01  0.733386D+00  0.757618D+00
               286           287           288           289           290 
      1  -0.308084D+01  0.500275D+00  0.294622D+01  0.150762D+01  0.273795D+00
      2  -0.131336D+01  0.243807D+00  0.740187D+00 -0.165750D+01  0.305151D+01
      3  -0.228097D+01 -0.529384D+00  0.302760D+01 -0.105860D+01  0.284214D+01
               291           292           293           294           295 
      1   0.472120D+01 -0.678259D+00 -0.172508D-01  0.550345D+00  0.116485D+01
      2  -0.430556D+01  0.987544D+00  0.142179D+01 -0.934988D+00 -0.294838D+01
      3  -0.342910D+01  0.174702D+01  0.193114D+01 -0.170932D+00 -0.163141D+01
               296           297           298           299           300 
      1  -0.588171D-01  0.106041D+02  0.118723D+00  0.943670D+00  0.608352D+00
      2   0.190344D+01 -0.679124D+01  0.140951D+01 -0.201215D+00  0.146602D+01
      3   0.195317D+01 -0.267475D+01 -0.979709D+00 -0.183403D+01 -0.631113D+00
               301           302           303           304           305 
      1   0.332521D+01  0.966336D+01  0.291353D+01  0.206530D+00  0.209216D+01
      2  -0.304663D+01  0.292663D+01  0.238420D+01  0.263693D+00  0.266924D+01
      3  -0.226860D+01 -0.130653D+02 -0.521941D+01 -0.111780D+01 -0.207013D+01
               306           307           308           309           310 
      1   0.152371D+01  0.210702D+01 -0.208931D+00  0.152366D+01  0.206047D+01
      2   0.263880D+01 -0.532962D+00 -0.160799D+00 -0.226579D+01  0.184960D+00
      3  -0.304962D+01 -0.285443D+01 -0.622844D+00 -0.110326D+01 -0.171410D+01
               311           312           313           314           315 
      1  -0.204064D+01  0.262324D+01 -0.105464D+01  0.295883D+01 -0.374445D+01
      2   0.217168D+01 -0.532633D+01 -0.254888D-01 -0.203649D+01  0.120246D+02
      3   0.208378D+01 -0.329099D+01  0.137642D+01 -0.213680D+01  0.269485D+01
               316           317           318           319           320 
      1  -0.738643D+00  0.470046D+01  0.702747D+00  0.997481D+00  0.453617D+01
      2  -0.466728D+01 -0.376479D+01 -0.163046D+01 -0.407082D+01 -0.533925D+01
      3   0.502316D+01  0.630017D+01  0.326203D+01  0.582531D+01  0.902674D+01
               321           322           323           324           325 
      1  -0.180864D+00 -0.253472D+00 -0.328476D+00 -0.820908D+00 -0.121751D+01
      2  -0.366976D+01 -0.215550D+01 -0.259906D+01 -0.293360D+01  0.374006D-01
      3   0.412436D+01  0.683833D+00  0.223610D+01  0.303895D+01 -0.801114D+00
               326           327           328           329           330 
      1  -0.170817D+01  0.210084D+01 -0.308491D+01  0.134735D+00  0.584751D+01
      2  -0.417943D+00  0.970195D+00  0.148174D+01 -0.124884D+01  0.167843D+01
      3  -0.190133D+01  0.155916D+01 -0.299658D+01  0.163997D+01  0.308298D+01
               331           332           333 
      1   0.301880D+01  0.192123D+01 -0.111708D+02
      2  -0.100520D+01  0.661757D-01 -0.579677D+01
      3   0.249262D+01  0.490040D+00 -0.268774D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.341115D+01 -0.404476D+01  0.851353D-01 -0.520289D+00  0.502596D+01
      2  -0.469310D+01 -0.937489D+00  0.134315D+02 -0.352770D-01 -0.120090D+02
      3   0.128195D+01  0.498225D+01 -0.135166D+02  0.555566D+00  0.698307D+01
      4  -0.943665D+01 -0.172987D+02  0.190572D+02 -0.879490D+01 -0.156841D+02
      5   0.742150D+01  0.146604D+02 -0.363181D+01  0.145427D+02  0.639084D+01
      6   0.105742D+02  0.184119D+02 -0.918367D+00  0.175324D+02  0.142761D+01
                 6             7             8             9            10 
      1   0.155649D+02 -0.390838D+01  0.159887D+02  0.740166D+01 -0.218388D+02
      2  -0.914406D+01  0.155818D+02 -0.100144D+02 -0.119476D+02  0.138239D+02
      3  -0.642080D+01 -0.116734D+02 -0.597428D+01  0.454598D+01  0.801497D+01
      4   0.155966D+02  0.216259D+02  0.209325D+02 -0.902694D+01 -0.149261D+02
      5  -0.857512D+01 -0.335624D+01 -0.109824D+02  0.212736D+01 -0.145487D+02
      6  -0.100477D+02 -0.275246D+01 -0.152709D+02  0.143064D+01 -0.104591D+02
                11            12            13            14            15 
      1  -0.104889D+01 -0.641926D+01 -0.642257D+01 -0.591079D+01 -0.212637D+02
      2   0.232958D+01 -0.335819D+01  0.330465D+01  0.564618D+01  0.993720D+01
      3  -0.128068D+01  0.977745D+01  0.311793D+01  0.264617D+00  0.113265D+02
      4  -0.529627D+01 -0.224681D+02 -0.132155D+02 -0.280411D+00 -0.726220D+01
      5  -0.201162D+02 -0.120154D+02 -0.209457D+02 -0.668172D+00  0.139639D+01
      6  -0.772463D+01 -0.627968D+01 -0.757257D+01  0.314673D+00 -0.165916D+01
                16            17            18            19            20 
      1  -0.906973D+01 -0.236744D+02 -0.151846D+02  0.817856D+01  0.328629D+01
      2   0.226180D+00  0.140107D+02  0.106627D+02 -0.512409D+01 -0.705052D+01
      3   0.884355D+01  0.966374D+01  0.452185D+01 -0.305446D+01  0.376423D+01
      4  -0.273479D+02 -0.658130D+01 -0.281796D+01  0.192330D+02  0.103418D+00
      5  -0.179374D+02  0.126583D+01 -0.193169D+01  0.973699D+01  0.119575D+02
      6  -0.698469D+01 -0.685847D+00 -0.167454D+01  0.404059D+01 -0.709315D+00
                21            22            23            24            25 
      1   0.311694D+01  0.575671D+01 -0.235983D+01  0.123439D+02 -0.148025D+01
      2  -0.164632D+01 -0.606470D+01  0.282117D+01 -0.210268D+01 -0.114295D+00
      3  -0.147062D+01  0.307989D+00 -0.461335D+00 -0.102412D+02  0.159454D+01
      4   0.141824D+02  0.516922D+01  0.841847D+01  0.104969D+01  0.686671D+01
      5   0.573997D+01  0.113156D+02 -0.430735D+01  0.160221D+01  0.295104D+01
      6   0.426474D+01 -0.165033D+01  0.134441D+01 -0.308896D+01  0.274441D+01
                26            27            28            29            30 
      1   0.104121D+02  0.749900D+01 -0.125744D+02 -0.248604D-01  0.450621D+01
      2  -0.288483D+01  0.133909D+01  0.212313D+01  0.787073D-02 -0.450577D+01
      3  -0.752723D+01 -0.883809D+01  0.104513D+02  0.169897D-01 -0.442827D-03
      4  -0.528718D+00  0.287872D+00 -0.346292D-01 -0.733063D+01  0.178745D+01
      5  -0.458826D+00 -0.424282D+01  0.220612D+01  0.872408D+00 -0.140318D+01
      6  -0.232253D+01 -0.591928D+01  0.869273D+00 -0.223800D+01  0.311294D-01
                31            32            33            34            35 
      1  -0.275168D-01  0.213626D+01  0.179488D+01  0.730689D+01  0.296371D+01
      2   0.546735D-01 -0.125671D+02 -0.178465D+01 -0.731035D+01 -0.298176D+01
      3  -0.271568D-01  0.104309D+02 -0.102286D-01  0.345960D-02  0.180424D-01
      4  -0.738077D+01 -0.121041D-01 -0.452144D+01  0.301884D+01 -0.728997D+01
      5   0.820559D+00 -0.222169D+01 -0.465485D-01  0.537734D+01 -0.347056D-01
      6  -0.221654D+01 -0.880833D+00 -0.140820D+01 -0.536860D-01  0.529620D+01
                36            37            38            39            40 
      1  -0.241719D+00  0.440780D+01 -0.227438D+01 -0.102301D+01 -0.595573D+01
      2  -0.326723D+00 -0.479501D+01  0.293016D+01 -0.921857D+01  0.313004D+01
      3   0.568442D+00  0.387214D+00 -0.655787D+00  0.102416D+02  0.282569D+01
      4  -0.374840D-01  0.945681D+01  0.102499D+02 -0.791789D+01  0.559862D+01
      5   0.263673D-01 -0.158867D+01 -0.269389D+01 -0.100132D+01 -0.381356D+01
      6   0.434879D-01 -0.222296D+01 -0.129486D+02  0.340978D+01 -0.133569D+02
                41            42            43            44            45 
      1   0.797993D+01 -0.584861D+01  0.130173D+01 -0.377895D+01  0.192093D+01
      2  -0.408296D+01  0.718551D+01 -0.812733D+01  0.731409D+01  0.694770D+01
      3  -0.389697D+01 -0.133690D+01  0.682561D+01 -0.353514D+01 -0.886863D+01
      4   0.163386D+02 -0.116993D+02 -0.435501D+01 -0.462628D+01  0.185150D+01
      5  -0.500770D+01  0.609970D+01 -0.139188D+01  0.392571D+01  0.681551D+01
      6  -0.149497D+01  0.360713D+01  0.766466D+00  0.202581D+01  0.251269D+01
                46            47            48            49            50 
      1   0.182311D+02  0.157823D+01  0.124275D+02 -0.322664D+01  0.544498D+00
      2  -0.163708D+02  0.257606D+01 -0.844572D+01  0.389510D+01  0.111575D+01
      3  -0.186032D+01 -0.415430D+01 -0.398178D+01 -0.668455D+00 -0.166025D+01
      4  -0.129526D+02 -0.358232D+01 -0.101535D+02  0.409130D+00 -0.912759D+01
      5   0.148462D+02 -0.647527D+01  0.657555D+01 -0.554706D+01 -0.830437D+01
      6   0.498474D+00 -0.292176D+01 -0.174024D+01 -0.370169D+01 -0.435200D+01
                51            52            53            54            55 
      1  -0.902939D+01  0.428996D+01 -0.849668D+01  0.725936D+01 -0.293258D+02
      2  -0.507044D+00 -0.391672D+01  0.810488D+00  0.158839D+01  0.213660D+02
      3   0.953644D+01 -0.373236D+00  0.768620D+01 -0.884775D+01  0.795981D+01
      4  -0.541430D+01 -0.516997D+01 -0.522857D+01  0.126521D+01  0.696856D+01
      5   0.963656D+00  0.317041D+01  0.189801D+01 -0.559795D+01 -0.263741D+02
      6  -0.399694D+01 -0.127988D+01 -0.255431D+01  0.465069D+01  0.706627D+01
                56            57            58            59            60 
      1  -0.289601D+01 -0.224791D+02  0.599726D+01 -0.288417D+01  0.177171D+02
      2  -0.410236D+00  0.101656D+02 -0.488749D+01  0.254539D+01 -0.923555D+01
      3   0.330624D+01  0.123135D+02 -0.110977D+01  0.338774D+00 -0.848160D+01
      4  -0.130128D+01  0.178685D+02 -0.666642D+01 -0.531310D+01  0.607772D+01
      5   0.146460D+02 -0.125433D+02  0.154267D+02  0.910291D+01 -0.422860D+01
      6  -0.371716D+00  0.342479D+01 -0.278906D-01 -0.111004D+01 -0.112182D+01
                61            62            63            64            65 
      1  -0.273939D+02  0.181449D+02 -0.149122D+02 -0.610432D+01  0.117472D+02
      2   0.163975D+02 -0.110438D+02  0.103731D+02  0.309805D+01 -0.573662D+01
      3   0.109964D+02 -0.710114D+01  0.453909D+01  0.300627D+01 -0.601060D+01
      4   0.199347D+02  0.889658D+01 -0.386142D+01  0.160671D+02 -0.147546D+02
      5  -0.182459D+02 -0.583334D+01 -0.232674D+01  0.187872D+02 -0.156380D+02
      6   0.239688D+01 -0.402799D+00  0.112916D+01 -0.144999D+02  0.102078D+02
                66            67            68            69            70 
      1   0.154313D+02  0.425384D+01  0.570818D+00 -0.183331D+02  0.138878D+02
      2  -0.742672D+00 -0.264385D+01 -0.585062D+01  0.155613D+02 -0.110372D+01
      3  -0.146886D+02 -0.160999D+01  0.527980D+01  0.277173D+01 -0.127841D+02
      4  -0.211365D+02 -0.802680D+01  0.119976D+02  0.223155D+01 -0.258159D+02
      5  -0.639450D+01 -0.153301D+02 -0.241458D+01  0.952809D+01 -0.750848D+01
      6   0.186819D+01  0.939849D+01  0.641621D+01 -0.729191D+01  0.477621D+01
                71            72            73            74            75 
      1  -0.217728D+02  0.173004D+01  0.901325D+01 -0.473152D+01 -0.801196D+01
      2   0.189744D+02 -0.623170D+01 -0.967329D+01  0.291489D+01 -0.158542D+01
      3   0.279844D+01  0.450167D+01  0.660044D+00  0.181663D+01  0.959739D+01
      4   0.543987D+01  0.125959D+02 -0.105800D+02  0.104157D+02  0.104392D+02
      5   0.130091D+02  0.243362D+01 -0.550344D+01  0.587202D+01  0.164589D+01
      6  -0.111168D+02 -0.853612D+00  0.752003D+01 -0.994906D+01 -0.395156D+01
                76            77            78            79            80 
      1   0.981168D+00  0.146747D+02  0.905434D+01 -0.269969D+01  0.477812D+01
      2   0.655363D+00 -0.105030D+02 -0.129193D+02 -0.300817D+01 -0.993221D+01
      3  -0.163653D+01 -0.417175D+01  0.386493D+01  0.570786D+01  0.515409D+01
      4   0.730932D+01 -0.669382D+01 -0.451922D+01  0.618350D+01  0.314866D+00
      5   0.704277D+01 -0.185889D+01 -0.662535D+01 -0.507820D-02 -0.444732D+01
      6  -0.100634D+02 -0.555372D+01  0.965138D+00 -0.125465D+01  0.616986D+00
                81            82            83            84            85 
      1   0.313640D+01 -0.370293D+01 -0.977336D+00  0.688657D+01 -0.395869D+01
      2   0.568723D+01  0.653921D+01  0.139239D+01  0.124053D+01  0.782593D+01
      3  -0.882362D+01 -0.283628D+01 -0.415055D+00 -0.812711D+01 -0.386724D+01
      4  -0.281510D+01 -0.882772D+01  0.310325D+00  0.747030D+01 -0.157889D+01
      5   0.725276D+01  0.807250D+01  0.163388D+01 -0.339797D+01  0.115307D+01
      6  -0.704372D+00  0.788569D+01 -0.161617D+01  0.369700D+01 -0.567932D+00
                86            87            88            89            90 
      1  -0.204621D+02  0.106986D+02  0.394995D+01  0.512520D+01  0.263036D+01
      2   0.211069D+02 -0.170746D+02  0.335908D+01 -0.750106D+01  0.622423D+01
      3  -0.644779D+00  0.637592D+01 -0.730903D+01  0.237586D+01 -0.885459D+01
      4  -0.150580D+01  0.151029D+01  0.723073D+01  0.486011D+00  0.252446D+01
      5  -0.609451D+01  0.102763D+01 -0.199356D+01  0.120951D+00 -0.300647D+01
      6  -0.152219D+02  0.603988D+01  0.331116D+01  0.261246D+01  0.663152D+01
                91            92            93            94            95 
      1  -0.122745D+01 -0.130682D+01 -0.317106D+00  0.496634D+01  0.220833D+02
      2  -0.161181D+00  0.630239D+00 -0.460805D+01 -0.100605D+02 -0.289601D+02
      3   0.138863D+01  0.676577D+00  0.492516D+01  0.509415D+01  0.687685D+01
      4  -0.715851D+01 -0.286359D+01 -0.134992D+02 -0.164758D+01 -0.564412D+01
      5  -0.312827D+01 -0.313808D+01 -0.213770D+01 -0.258953D+01  0.195229D+01
      6  -0.139280D+02 -0.364811D+01 -0.711178D+01 -0.296344D+01  0.321717D+02
                96            97            98            99           100 
      1  -0.174863D+02 -0.185001D+01 -0.238377D+02  0.666082D+01 -0.319788D+01
      2   0.315979D+02 -0.210442D+01  0.363280D+02 -0.111805D+02  0.416370D-01
      3  -0.141116D+02  0.395443D+01 -0.124903D+02  0.451968D+01  0.315624D+01
      4  -0.366335D+01 -0.161002D+02 -0.188112D+01 -0.978871D+01  0.845219D+01
      5   0.567744D+00 -0.251475D+01 -0.191234D+01 -0.485882D+00 -0.726092D+01
      6  -0.115676D+02 -0.101722D+02 -0.161075D+02  0.248541D+01  0.110844D+02
               101           102           103           104           105 
      1  -0.246167D+01 -0.111029D+02 -0.824862D+01  0.145332D+02  0.137435D+02
      2   0.410963D+01  0.993126D+01  0.143236D+02 -0.196592D+02 -0.286633D+02
      3  -0.164796D+01  0.117160D+01 -0.607500D+01  0.512605D+01  0.149198D+02
      4  -0.436139D+01  0.101220D+02 -0.746619D+01  0.149838D+02  0.118320D+02
      5  -0.605826D+00 -0.435318D+01 -0.129580D+01  0.107570D+02  0.131486D+01
      6   0.825027D+01  0.900421D+01  0.874053D+01 -0.290328D+02 -0.929508D+01
               106           107           108           109           110 
      1  -0.147504D+02  0.176863D+02  0.659797D+00 -0.924886D+01  0.311368D+01
      2   0.141067D+02 -0.307660D+02 -0.520847D+01  0.129991D+02 -0.269852D+01
      3   0.643682D+00  0.130797D+02  0.454867D+01 -0.375029D+01 -0.415169D+00
      4   0.102763D+02  0.163052D+02  0.128980D+02  0.368829D+01  0.416319D+01
      5  -0.638058D+01  0.446291D+01  0.157098D+00  0.906985D+01  0.376854D+01
      6   0.127271D+02 -0.122451D+02 -0.251488D+01 -0.367117D+01 -0.641996D+01
               111           112           113           114           115 
      1   0.123266D+02  0.642723D+01 -0.166790D+02 -0.675783D+01  0.838751D+01
      2  -0.605038D+01 -0.949944D+01  0.164260D+02  0.149789D+02 -0.192099D+01
      3  -0.627622D+01  0.307221D+01  0.252975D+00 -0.822108D+01 -0.646653D+01
      4  -0.355184D+01  0.484397D+01 -0.742401D+01 -0.662565D+01 -0.524605D+01
      5  -0.163789D+01  0.398943D+01 -0.901548D+01 -0.300801D+01 -0.826354D+00
      6  -0.572877D+01 -0.525620D+01  0.112776D+02  0.426768D+01 -0.422384D+01
               116           117           118           119           120 
      1  -0.247892D+01  0.411513D+01 -0.401649D+01 -0.719258D+01  0.187505D+01
      2   0.665128D+01  0.474722D+01  0.503335D+01  0.653959D+01 -0.303566D+01
      3  -0.417235D+01 -0.886235D+01 -0.101686D+01  0.652993D+00  0.116061D+01
      4  -0.414301D+01 -0.307880D+01 -0.251586D+01  0.407332D+01  0.585144D-01
      5  -0.103091D+01 -0.120500D+01  0.568204D+00  0.135820D+01  0.699518D+00
      6   0.147983D+01 -0.719398D+01 -0.194370D+01 -0.223169D+01  0.132814D+01
               121           122           123           124           125 
      1  -0.571408D+01 -0.155118D+02  0.674206D+01  0.361397D+01  0.112470D+02
      2   0.133796D+01  0.288270D+02 -0.997108D+01 -0.163088D+01 -0.152100D+02
      3   0.437612D+01 -0.133152D+02  0.322902D+01 -0.198309D+01  0.396296D+01
      4   0.864889D+01 -0.209019D+02  0.545539D+01 -0.237507D+01  0.106013D+02
      5   0.170767D+00  0.670669D+01 -0.644847D+01  0.311923D+01 -0.911731D+01
      6  -0.607056D+00 -0.107578D+02  0.900226D+01 -0.139544D+01  0.125478D+02
               126           127           128           129           130 
      1  -0.642239D+01  0.360236D+02 -0.146132D+02 -0.115968D+02 -0.753778D+01
      2   0.773235D+01 -0.143936D+02  0.154175D+01  0.471592D+01 -0.377526D+01
      3  -0.130996D+01 -0.216301D+02  0.130714D+02  0.688088D+01  0.113130D+02
      4  -0.763330D+01 -0.353423D+02  0.244139D+02  0.147545D+02  0.235125D+02
      5   0.933768D+01 -0.212941D+02  0.119759D+02  0.144636D+02  0.960330D+01
      6  -0.115101D+02  0.112117D+02 -0.718306D+01 -0.725472D+01 -0.801334D+01
               131           132           133           134           135 
      1   0.484589D+01  0.286182D+01 -0.145603D+02  0.702145D+01  0.695175D+01
      2   0.711010D+01  0.116462D+01  0.671582D+01 -0.182138D+01 -0.416633D+01
      3  -0.119560D+02 -0.402644D+01  0.784449D+01 -0.520006D+01 -0.278542D+01
      4  -0.247668D+02 -0.109104D+02  0.212964D+02 -0.168787D+02 -0.164725D+02
      5  -0.958360D+01 -0.766215D+01  0.203862D+02 -0.140152D+02 -0.187445D+02
      6   0.778854D+01  0.789863D+01 -0.117792D+02  0.115660D+02  0.122023D+02
               136           137           138           139           140 
      1   0.230353D+02  0.905687D+01 -0.459676D+01  0.155000D+02  0.772370D+01
      2  -0.133290D+02 -0.479173D+01  0.313275D+01 -0.751541D+01 -0.312641D+01
      3  -0.970630D+01 -0.426514D+01  0.146401D+01 -0.798457D+01 -0.459729D+01
      4   0.808348D+01  0.712599D+01 -0.416956D+01  0.104251D+02  0.184143D+02
      5  -0.556929D+01 -0.430543D+01  0.744745D+01 -0.627491D+01 -0.856899D+01
      6  -0.144213D+01 -0.778443D+00  0.244834D+00 -0.107059D+01 -0.233042D+01
               141           142           143           144           145 
      1  -0.548118D+01 -0.113456D+02 -0.656324D+01  0.835237D+01  0.682894D+02
      2   0.238786D+01  0.714294D+01  0.518072D+01 -0.703927D+01 -0.393500D+02
      3   0.309332D+01  0.420269D+01  0.138252D+01 -0.131310D+01 -0.289394D+02
      4  -0.758956D+01 -0.746456D+01 -0.111245D+02  0.700682D+01 -0.173672D+02
      5   0.800466D+01  0.131258D+02  0.852507D+01 -0.147313D+02  0.305730D+02
      6   0.225039D+01  0.797974D+00  0.252836D+01 -0.146946D+01 -0.656182D+01
               146           147           148           149           150 
      1  -0.698333D+01  0.219379D+02 -0.871510D+01  0.838929D+01 -0.377673D+01
      2   0.292449D+01 -0.142331D+02  0.289379D+01 -0.374714D+01  0.172718D+01
      3   0.405884D+01 -0.770479D+01  0.582131D+01 -0.464215D+01  0.204954D+01
      4   0.101614D+02 -0.649976D+01  0.163581D+02 -0.722918D+01  0.521536D+01
      5  -0.490680D+01  0.186159D+02 -0.599184D+01  0.466686D+01 -0.313986D+01
      6   0.183931D+01 -0.355134D+01  0.410722D+01 -0.198856D+01  0.374889D+01
               151           152           153           154           155 
      1   0.314899D+02 -0.415039D+01  0.178155D+02  0.579838D+01 -0.404589D+01
      2  -0.222797D+02  0.224290D+01 -0.150354D+02  0.224047D+01  0.124715D+02
      3  -0.921022D+01  0.190749D+01 -0.278009D+01 -0.803885D+01 -0.842566D+01
      4  -0.108573D+02  0.446497D+01 -0.569695D+01  0.246140D+02  0.125073D+02
      5   0.288348D+02 -0.339758D+01  0.218685D+02  0.556196D+01  0.196087D+01
      6  -0.564062D+01  0.311545D+01 -0.472122D+01  0.994903D+01  0.444743D+01
               156           157           158           159           160 
      1   0.180243D+01 -0.362240D+01 -0.557522D+01 -0.100360D+01  0.683224D+00
      2   0.156821D+01  0.833389D+01  0.118248D+02  0.161493D+01  0.174870D+01
      3  -0.337064D+01 -0.471149D+01 -0.624955D+01 -0.611326D+00 -0.243193D+01
      4   0.971246D+01  0.734169D+01  0.101498D+02  0.311336D+01  0.150639D+02
      5   0.471741D+01  0.115400D+01  0.181021D+01  0.996805D+00  0.564010D+01
      6   0.876177D+01  0.260241D+01  0.273455D+01  0.500369D+01  0.105842D+02
               161           162           163           164           165 
      1  -0.236394D+01 -0.242430D+01 -0.443030D+01  0.479655D+00  0.105633D+00
      2   0.606426D+01  0.372810D+01  0.824600D+01  0.569509D+00 -0.160802D+00
      3  -0.370032D+01 -0.130381D+01 -0.381570D+01 -0.104916D+01  0.551682D-01
      4   0.743454D+01  0.995940D+01  0.236662D+01  0.138819D+02 -0.393542D+01
      5   0.285298D+01  0.531210D+01 -0.214318D+00 -0.279613D+01  0.308309D+01
      6   0.100388D+02  0.138781D+02 -0.377964D+01 -0.642294D+00  0.111322D+01
               166           167           168           169           170 
      1  -0.252396D+01 -0.428534D+02  0.155428D+02  0.241454D+01  0.242794D+02
      2   0.532702D+01  0.726117D+02 -0.235071D+02 -0.300101D+01 -0.336661D+02
      3  -0.280306D+01 -0.297583D+02  0.796434D+01  0.586474D+00  0.938664D+01
      4   0.897276D+01  0.692341D+01 -0.265050D+01 -0.328384D+01 -0.357472D+01
      5  -0.892973D+00 -0.827768D+00  0.692271D+00  0.260540D+01  0.152796D+01
      6  -0.227689D+01 -0.324496D+02  0.192725D+02  0.377501D+01  0.293295D+02
               171           172           173           174           175 
      1  -0.156402D+02  0.175183D+02  0.131607D+01  0.653074D+01  0.371739D+01
      2   0.184243D+02 -0.638072D+01 -0.844802D+01 -0.312316D+01 -0.712725D+01
      3  -0.278419D+01 -0.111376D+02  0.713195D+01 -0.340757D+01  0.340986D+01
      4   0.345011D+01 -0.260155D+02  0.115443D+02 -0.896238D+01  0.590869D+01
      5  -0.120821D+01  0.872821D+01 -0.135877D+01  0.713157D+01 -0.119956D+00
      6  -0.223145D+02 -0.929401D+01  0.191304D+01 -0.819768D+01  0.360090D+00
               176           177           178           179           180 
      1   0.730641D+00  0.100436D+01  0.835539D+01  0.313920D+00  0.287771D+01
      2   0.238353D+01 -0.723477D+00 -0.506796D+01 -0.327977D+01 -0.157331D+01
      3  -0.311417D+01 -0.280882D+00 -0.328743D+01  0.296585D+01 -0.130441D+01
      4  -0.758595D+01  0.111775D+01 -0.151000D+02  0.486826D+01 -0.101738D+02
      5   0.162992D+01 -0.432956D+00  0.922820D+01 -0.305250D+01  0.866842D+01
      6  -0.109600D+01  0.256875D+01 -0.107917D+02  0.644081D+01 -0.120726D+02
               181           182           183           184           185 
      1  -0.196922D+01  0.589483D+00  0.119813D+01  0.549422D+01 -0.324775D+02
      2   0.841713D+01 -0.777707D+01 -0.327904D+01 -0.144396D+02  0.596381D+02
      3  -0.644791D+01  0.718759D+01  0.208091D+01  0.894541D+01 -0.271606D+02
      4  -0.124425D+02  0.178996D+02  0.639967D+01  0.155307D+02 -0.271724D+02
      5  -0.273461D+01  0.452660D+01  0.456985D+01  0.310069D+01 -0.747624D+01
      6   0.584031D+01 -0.657473D+01 -0.498083D+01 -0.863081D+01  0.289161D+02
               186           187           188           189           190 
      1  -0.117935D+02  0.521107D+01 -0.180355D+02 -0.117328D+02  0.316432D+02
      2   0.194863D+02 -0.816656D+01  0.269698D+02  0.145214D+02 -0.192621D+02
      3  -0.769277D+01  0.295549D+01 -0.893436D+01 -0.278854D+01 -0.123811D+02
      4  -0.106271D+02  0.846393D+01 -0.157247D+02 -0.113728D+02 -0.597916D+00
      5  -0.455306D+01  0.563306D+01 -0.775141D+01 -0.683502D+01 -0.858770D+01
      6   0.177682D+02 -0.999802D+01  0.262805D+02  0.212540D+02 -0.244620D+00
               191           192           193           194           195 
      1  -0.752975D+01 -0.816659D+01 -0.150226D+02  0.902546D+01  0.685706D+01
      2   0.532058D+01  0.595657D+01  0.908673D+01 -0.712097D+01 -0.423830D+01
      3   0.220917D+01  0.221002D+01  0.593590D+01 -0.190449D+01 -0.261876D+01
      4   0.615651D+01  0.285830D+01  0.675280D+01 -0.108729D+02 -0.409675D+01
      5   0.443872D+01  0.913333D+01  0.642386D+01 -0.606421D+01 -0.620712D+01
      6   0.255561D+00  0.156188D+01  0.467377D+00  0.294756D+00  0.563640D+00
               196           197           198           199           200 
      1  -0.162558D+02  0.737251D+01  0.107935D+02  0.493912D+02  0.132420D+02
      2   0.118285D+02 -0.712272D+01 -0.948353D+01 -0.244355D+02 -0.385484D+01
      3   0.442734D+01 -0.249795D+00 -0.130993D+01 -0.249557D+02 -0.938716D+01
      4   0.359141D+01 -0.612043D+01 -0.233396D+01  0.325065D+02  0.173737D+02
      5   0.147298D+02 -0.533446D+01 -0.146666D+02  0.241454D+02  0.956009D+01
      6   0.239693D+01  0.929232D+00 -0.232739D+01  0.113047D+02  0.517591D+01
               201           202           203           204           205 
      1   0.156576D+02  0.118047D+02  0.751768D+01  0.499096D+01  0.215571D+02
      2  -0.872655D+01 -0.664558D+00  0.110909D+01 -0.105874D+01 -0.131325D+02
      3  -0.693101D+01 -0.111401D+02 -0.862677D+01 -0.393222D+01 -0.842456D+01
      4   0.125690D+02  0.231767D+02  0.183033D+02  0.938535D+01  0.205315D+02
      5   0.160120D+02  0.100182D+02  0.776032D+01  0.634706D+01  0.249533D+02
      6   0.676764D+01  0.763956D+01  0.589822D+01  0.634506D+01  0.113621D+02
               206           207           208           209           210 
      1   0.725726D+01  0.128965D+02 -0.714498D+01  0.842789D+01  0.365424D+01
      2  -0.307267D+01 -0.101157D+02  0.770650D+01 -0.111260D+02 -0.559502D+01
      3  -0.418459D+01 -0.278072D+01 -0.561528D+00  0.269808D+01  0.194078D+01
      4   0.110329D+02  0.130199D+02 -0.354675D+01  0.405474D+01  0.966364D+00
      5   0.912371D+01  0.199421D+02  0.491359D+00 -0.160293D+01 -0.195688D-01
      6   0.698733D+01  0.101073D+02  0.345584D+01 -0.476049D+01 -0.368792D+01
               211           212           213           214           215 
      1   0.513239D+01 -0.204450D+02 -0.767678D+01  0.578471D+01 -0.137374D+02
      2  -0.411196D+01  0.341755D+02  0.104925D+02 -0.487104D+01  0.180708D+02
      3  -0.102044D+01 -0.137305D+02 -0.281574D+01 -0.913669D+00 -0.433346D+01
      4   0.637315D+01  0.108027D+02  0.930318D+00  0.255022D+01  0.351110D+01
      5  -0.866430D+00  0.333755D+01  0.407773D+01  0.114928D+01  0.614356D+01
      6  -0.289223D+01  0.106988D+02  0.973211D+01 -0.158634D+01  0.145270D+02
               216           217           218           219           220 
      1  -0.926539D+01  0.146104D+02  0.729067D+01 -0.384887D+01  0.145885D+01
      2   0.105804D+02  0.402187D+00  0.658598D+01 -0.178004D+01  0.106535D+02
      3  -0.131500D+01 -0.150125D+02 -0.138766D+02  0.562891D+01 -0.121123D+02
      4   0.318981D+01  0.302791D+02  0.276678D+02 -0.137881D+02  0.238287D+02
      5   0.611625D+01 -0.128959D+02 -0.112312D+02  0.103765D+02 -0.872241D+01
      6   0.135080D+02 -0.108925D+02 -0.102356D+02  0.790655D+01 -0.104246D+02
               221           222           223           224           225 
      1  -0.638072D+01  0.168508D+01 -0.310912D+01  0.108900D+01 -0.186572D+01
      2   0.249469D+02 -0.732531D+01 -0.315851D+01 -0.811034D+01  0.465043D+01
      3  -0.185662D+02  0.564024D+01  0.626763D+01  0.702134D+01 -0.278471D+01
      4   0.338997D+02 -0.138721D+02 -0.187094D+02 -0.223598D+02  0.170784D+02
      5  -0.121418D+02  0.831481D+01  0.134747D+02  0.145214D+02 -0.150289D+02
      6  -0.153279D+02  0.119892D+02  0.122761D+02  0.184737D+02 -0.165627D+02
               226           227           228           229           230 
      1  -0.600556D+01  0.977880D+01 -0.719672D+01  0.634789D+01 -0.140957D+02
      2   0.512277D+01 -0.936562D+01  0.451316D+01 -0.522681D+01  0.179974D+02
      3   0.882791D+00 -0.413175D+00  0.268356D+01 -0.112108D+01 -0.390172D+01
      4  -0.100383D+02  0.273618D+01 -0.236202D+01  0.730647D+01 -0.458938D+01
      5   0.338396D+01 -0.225221D+01  0.150818D+01 -0.160717D+01  0.211694D+01
      6  -0.461095D+01  0.121964D+02 -0.877066D+01  0.556000D+01 -0.135512D+02
               231           232           233           234           235 
      1   0.818550D+01 -0.272783D+01  0.580414D+01 -0.748779D+01  0.160514D+01
      2  -0.681031D+01  0.145585D+01 -0.245216D+01  0.148491D+01 -0.505530D+01
      3  -0.137519D+01  0.127199D+01 -0.335198D+01  0.600288D+01  0.345016D+01
      4   0.343230D+01 -0.132986D+01  0.402411D+01 -0.325068D+01  0.272918D+01
      5  -0.478684D+00  0.203798D+01 -0.106379D+01  0.346656D+00 -0.629921D+01
      6   0.976723D+01 -0.438090D+01  0.753047D+01 -0.901920D+01 -0.216922D+01
               236           237           238           239           240 
      1   0.252950D+00 -0.585926D+00 -0.350973D+00 -0.698518D-01 -0.130588D+01
      2   0.704541D+00  0.710546D+01  0.155653D+01 -0.384655D+01 -0.616031D+01
      3  -0.957490D+00 -0.651953D+01 -0.120556D+01  0.391640D+01  0.746619D+01
      4   0.255925D+01 -0.153479D+01 -0.223286D+01 -0.602470D+01  0.918691D+00
      5  -0.394428D+00  0.934694D+01  0.232548D+01 -0.527382D-01 -0.465260D+01
      6  -0.219899D+00  0.327600D+01  0.198744D+01  0.265195D+01 -0.432469D+00
               241           242           243           244           245 
      1   0.564410D+00  0.233725D+01 -0.111775D+02  0.105081D+02 -0.377201D+01
      2   0.521270D+01 -0.253379D+01 -0.182691D+02 -0.656394D+01  0.357157D+01
      3  -0.577711D+01  0.196540D+00  0.294466D+02 -0.394419D+01  0.200440D+00
      4  -0.335739D+01 -0.310909D+01  0.338735D+00 -0.786410D+01  0.825278D+01
      5   0.714962D+01  0.863455D+00 -0.162519D+02  0.773776D+01 -0.609236D+01
      6   0.279858D+01  0.480599D+01 -0.136158D+02 -0.338877D+01  0.272798D+01
               246           247           248           249           250 
      1   0.318539D+01 -0.973112D+01  0.206486D+01 -0.345639D+01 -0.306828D+00
      2  -0.381730D+01  0.881855D+01 -0.301031D+01  0.641304D+01 -0.259059D+01
      3   0.631909D+00  0.912567D+00  0.945447D+00 -0.295665D+01  0.289741D+01
      4  -0.519485D+01  0.622546D+01 -0.157268D+02  0.662404D+01 -0.479412D+01
      5   0.682213D+01 -0.123341D+02  0.827164D+01 -0.102319D+02  0.574981D+01
      6  -0.194556D+01  0.509735D+01 -0.671278D+01  0.443736D+01 -0.208404D+01
               251           252           253           254           255 
      1  -0.402526D+00 -0.806909D+00 -0.582217D+01  0.100352D+01  0.362046D+01
      2   0.251406D+01 -0.520331D+01  0.250825D+01  0.168868D+00  0.183925D+01
      3  -0.211154D+01  0.601022D+01  0.331392D+01 -0.117239D+01 -0.545971D+01
      4   0.360708D+01 -0.508101D+01 -0.372944D+01 -0.278254D+00 -0.109759D+01
      5  -0.539997D+01  0.860666D+01 -0.267844D+01 -0.774602D+00 -0.110140D+00
      6   0.381137D+01 -0.272877D+01  0.715630D+00 -0.400843D+00 -0.205957D+01
               256           257           258           259           260 
      1   0.271707D+01 -0.402688D+01 -0.699763D+01  0.278838D+01 -0.406436D+01
      2  -0.177176D+01 -0.452973D-02 -0.126747D+01 -0.413672D+01 -0.157288D+01
      3  -0.945302D+00  0.403141D+01  0.826510D+01  0.134834D+01  0.563724D+01
      4   0.423125D+01  0.357134D+01  0.369752D+01  0.244741D+01  0.354090D+01
      5   0.208186D+01  0.388147D+01  0.586718D+01  0.590486D+01  0.315412D+01
      6   0.162187D+01  0.553036D+01  0.902092D+01  0.121419D+01  0.606398D+01
               261           262           263           264           265 
      1  -0.176193D+02  0.200014D+02  0.351541D+01 -0.703923D+01  0.180131D+01
      2  -0.118596D+02 -0.179432D+02 -0.631779D+01  0.956788D+01 -0.389325D+01
      3   0.294788D+02 -0.205816D+01  0.280238D+01 -0.252865D+01  0.209194D+01
      4   0.211355D+01 -0.122013D+02  0.582267D+01  0.606535D+01  0.259692D+00
      5   0.174341D+02 -0.185029D+02  0.177566D+01  0.116937D+02 -0.429213D+01
      6   0.120896D+02  0.592521D+01 -0.239737D+01 -0.539949D+01  0.357727D+00
               266           267           268           269           270 
      1   0.501944D+01 -0.129873D+00 -0.414209D+01  0.588343D+00  0.205300D+01
      2  -0.404173D+01  0.176603D+01  0.767469D+01 -0.116194D+01 -0.804587D+01
      3  -0.977710D+00 -0.163616D+01 -0.353260D+01  0.573595D+00  0.599288D+01
      4   0.859960D+00  0.988823D+00  0.190554D+01  0.211110D+00 -0.224555D+01
      5   0.485853D-01  0.288342D+01  0.850396D+01  0.653619D+00 -0.797827D+01
      6  -0.164164D+01 -0.436583D+00 -0.266251D+01  0.104810D+01  0.418840D+01
               271           272           273           274           275 
      1  -0.295994D+00 -0.616991D+01 -0.821694D+01 -0.153499D+01 -0.314535D+01
      2  -0.442979D+01  0.571333D+01 -0.149007D+01  0.131798D+01  0.517843D+00
      3   0.472578D+01  0.456582D+00  0.970701D+01  0.217011D+00  0.262750D+01
      4   0.438069D+01 -0.194038D+01  0.268915D+01 -0.169596D+00  0.178586D+01
      5   0.181291D+01 -0.878637D+00  0.259603D+01 -0.321369D+00  0.177180D+01
      6   0.177089D+01  0.574689D+01  0.854301D+01  0.229312D+01  0.348625D+01
               276           277           278           279           280 
      1  -0.278144D+01 -0.227150D+01 -0.672857D+01 -0.168231D+02  0.129353D+02
      2   0.847378D+00 -0.772037D+00  0.180479D+01 -0.126533D+02 -0.121495D+02
      3   0.193406D+01  0.304354D+01  0.492377D+01  0.294765D+02 -0.785828D+00
      4   0.139635D+01  0.333202D+01 -0.155256D+01  0.288736D+01  0.183815D+02
      5   0.606922D+00  0.380842D+01 -0.884081D+00 -0.370072D+01 -0.160723D+02
      6   0.632548D+01  0.105405D+01  0.817343D+01  0.209094D+02 -0.931726D+01
               281           282           283           284           285 
      1  -0.362687D+01 -0.276128D+01  0.567078D+00  0.347534D+01 -0.120878D+01
      2   0.637682D+01  0.562511D+01  0.147344D+01 -0.122422D+01  0.276204D+00
      3  -0.274995D+01 -0.286383D+01 -0.204052D+01 -0.225112D+01  0.932577D+00
      4   0.709860D+01 -0.938630D+01  0.326079D+01  0.302810D+01 -0.109388D+01
      5  -0.522566D+01  0.103000D+02 -0.567278D-01 -0.678442D+00 -0.603925D-01
      6  -0.564293D+01  0.821108D+01 -0.143326D+01  0.486550D+00  0.967847D+00
               286           287           288           289           290 
      1  -0.222052D+01 -0.118061D+01  0.301112D+00 -0.572768D+00  0.671931D+01
      2   0.548864D+01  0.263426D+01 -0.628902D+01 -0.419124D+01 -0.681799D+01
      3  -0.326812D+01 -0.145365D+01  0.598791D+01  0.476401D+01  0.986739D-01
      4  -0.434749D+01 -0.139475D+01  0.444355D+01 -0.322378D+01  0.101734D+01
      5   0.752897D+01  0.105655D+01 -0.665628D+01  0.243280D+01 -0.654024D+00
      6   0.436937D+01  0.202941D+01 -0.608310D+01 -0.334549D+01  0.566938D+01
               291           292           293           294           295 
      1  -0.672485D+01  0.180954D+01  0.106664D+00  0.143520D+00 -0.229275D+01
      2  -0.315127D+01 -0.214731D+01 -0.269120D+01 -0.747826D+00 -0.190366D+01
      3   0.987612D+01  0.337764D+00  0.258454D+01  0.604306D+00  0.419641D+01
      4  -0.440533D+01  0.336143D+00 -0.204099D+01  0.101835D+01 -0.335480D+01
      5   0.507693D+01 -0.324494D+00  0.235446D+01 -0.944152D+00  0.412390D+01
      6  -0.885609D+01  0.219414D+01 -0.810294D+00  0.381487D+01 -0.212288D+01
               296           297           298           299           300 
      1   0.654939D+01 -0.151309D+02  0.365699D+01  0.179832D+01  0.296636D+00
      2  -0.256788D+01 -0.143425D+02 -0.299253D+00 -0.472241D+00 -0.150447D+00
      3  -0.398151D+01  0.294734D+02 -0.335774D+01 -0.132607D+01 -0.146189D+00
      4  -0.115954D+00 -0.354577D+01  0.663732D+01  0.680781D+01  0.397493D+01
      5  -0.192702D+00  0.173558D+01  0.273166D+01  0.427307D+01  0.369122D+01
      6   0.783280D+01 -0.211363D+02  0.246988D+01  0.257110D+01  0.173970D+01
               301           302           303           304           305 
      1   0.798371D+01 -0.409946D+01 -0.378534D+00 -0.230790D+01 -0.221671D+01
      2  -0.595721D+01  0.372434D+01 -0.264840D+01  0.437122D-01 -0.569006D+00
      3  -0.202650D+01  0.375125D+00  0.302694D+01  0.226418D+01  0.278572D+01
      4   0.779892D+01  0.193337D+02  0.951834D+01  0.360098D+01  0.494348D+01
      5   0.969345D+01  0.102060D+02  0.100395D+02  0.379825D+01  0.539732D+01
      6   0.644763D+01  0.113845D+02  0.759711D+01  0.208085D+01  0.578135D+01
               306           307           308           309           310 
      1  -0.359296D+01 -0.547529D+01 -0.173837D+01  0.165058D+01 -0.539878D+01
      2  -0.243193D+01  0.262477D+01  0.871962D+00  0.152736D+01  0.477919D+01
      3   0.602489D+01  0.285052D+01  0.866411D+00 -0.317795D+01  0.619590D+00
      4   0.550831D+01  0.334512D+00  0.712894D+00  0.165011D+00  0.374578D+01
      5   0.764547D+01 -0.152347D+01 -0.909332D+00  0.142565D+01 -0.418333D+01
      6   0.482892D+01 -0.177946D+01  0.474986D+00  0.762954D-01  0.172777D+01
               311           312           313           314           315 
      1  -0.366008D+01  0.542209D+01  0.289477D+01  0.300188D+01 -0.162029D+02
      2  -0.849080D+00  0.397179D+01 -0.562795D+01  0.211953D+01 -0.132498D+02
      3   0.450916D+01 -0.939388D+01  0.273317D+01 -0.512140D+01  0.294527D+02
      4  -0.323241D+01  0.483103D+01 -0.137424D+01  0.346808D+01 -0.325949D+01
      5   0.428737D+01 -0.787363D+01  0.699462D+01 -0.291192D+01  0.199217D+02
      6  -0.398149D+01  0.751859D+01 -0.964539D+00  0.498685D+01 -0.728736D+01
               316           317           318           319           320 
      1  -0.579265D+01 -0.767021D+01 -0.510012D+01 -0.696944D+01 -0.186860D+02
      2   0.559957D+01  0.618490D+01  0.285067D+01  0.477508D+01  0.218809D+02
      3   0.193078D+00  0.148531D+01  0.224945D+01  0.219436D+01 -0.319493D+01
      4   0.511779D+01  0.488891D-01 -0.628806D+00  0.588393D+01 -0.293422D+01
      5   0.208036D+01 -0.150484D-01 -0.230051D+00  0.104956D+01 -0.135604D+01
      6   0.137467D+01  0.916259D+01  0.615970D+01  0.257543D+01  0.175623D+02
               321           322           323           324           325 
      1  -0.105532D+02 -0.116362D+01 -0.780962D+01 -0.852296D+01  0.221480D+01
      2   0.852039D+01  0.781069D+00  0.424061D+01  0.250409D+01 -0.515518D+01
      3   0.203280D+01  0.382551D+00  0.356901D+01  0.601887D+01  0.294038D+01
      4  -0.881621D+00 -0.245695D+00  0.146907D+01  0.628071D+00 -0.498988D+00
      5  -0.214529D+01  0.105796D+01 -0.639433D+00 -0.195391D+01 -0.561156D+01
      6   0.115283D+02  0.268118D+01  0.853325D+01  0.883816D+01 -0.616371D-02
               326           327           328           329           330 
      1  -0.926585D-01 -0.110774D+01  0.276697D+01 -0.295246D+01  0.907376D+00
      2  -0.629307D+00  0.553238D+01 -0.372595D+01 -0.145903D+01  0.796552D+01
      3   0.721966D+00 -0.442465D+01  0.958981D+00  0.441150D+01 -0.887290D+01
      4   0.589365D+00 -0.444568D+00 -0.323329D+01  0.594849D+01 -0.513554D+00
      5  -0.121104D+01  0.839058D+01 -0.440230D+01 -0.410330D+00  0.698326D+01
      6   0.564253D+00 -0.955407D+00  0.201493D+01 -0.208726D+01  0.532515D+00
               331           332           333 
      1  -0.624948D+00 -0.670791D+00 -0.114592D+02
      2   0.618129D+01  0.233126D+01 -0.180004D+02
      3  -0.555634D+01 -0.166047D+01  0.294596D+02
      4   0.270877D+01 -0.331774D+01  0.144532D+01
      5   0.791883D+01 -0.455616D-01 -0.191958D+02
      6  -0.198857D+01  0.405464D+01  0.902509D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 23 00:30:39 2021, MaxMem=  5637144576 cpu:          105335.6 elap:           13202.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -14.79338 -14.79338 -14.79337 -14.79335 -14.79335
 Alpha  occ. eigenvalues --  -14.79334 -10.61885 -10.61882 -10.61881 -10.61860
 Alpha  occ. eigenvalues --  -10.61857 -10.61856  -3.71482  -2.46836  -2.46834
 Alpha  occ. eigenvalues --   -2.46394  -1.37159  -1.36041  -1.36040  -1.33567
 Alpha  occ. eigenvalues --   -1.33564  -1.33475  -1.15656  -1.15437  -1.15434
 Alpha  occ. eigenvalues --   -1.04016  -1.03429  -1.03427  -0.96901  -0.96896
 Alpha  occ. eigenvalues --   -0.95575  -0.95004  -0.95001  -0.94206  -0.94197
 Alpha  occ. eigenvalues --   -0.92913  -0.92912  -0.87206  -0.87202  -0.86505
 Alpha  occ. eigenvalues --   -0.86479  -0.85805  -0.85804  -0.84340  -0.82954
 Alpha  occ. eigenvalues --   -0.82953  -0.79147  -0.79146  -0.77939  -0.77885
 Alpha  occ. eigenvalues --   -0.77883  -0.76883  -0.75045  -0.74177  -0.74176
 Alpha  occ. eigenvalues --   -0.71292  -0.71292  -0.71024
 Alpha virt. eigenvalues --   -0.47948  -0.47940  -0.40865  -0.38962  -0.37851
 Alpha virt. eigenvalues --   -0.37850  -0.35223  -0.35219  -0.34538  -0.32448
 Alpha virt. eigenvalues --   -0.32443  -0.31587  -0.31586  -0.31304  -0.29387
 Alpha virt. eigenvalues --   -0.28780  -0.28699  -0.28698  -0.27203  -0.27201
 Alpha virt. eigenvalues --   -0.27087  -0.26254  -0.25703  -0.25699  -0.24994
 Alpha virt. eigenvalues --   -0.24909  -0.24908  -0.23768  -0.22518  -0.22513
 Alpha virt. eigenvalues --   -0.21868  -0.21735  -0.21730  -0.21306  -0.21305
 Alpha virt. eigenvalues --   -0.20973  -0.20269  -0.19806  -0.19805  -0.19605
 Alpha virt. eigenvalues --   -0.19509  -0.18240  -0.18233  -0.17779  -0.17778
 Alpha virt. eigenvalues --   -0.16692  -0.16080  -0.15816  -0.15813  -0.15483
 Alpha virt. eigenvalues --   -0.15132  -0.15129  -0.14418  -0.14416  -0.12782
 Alpha virt. eigenvalues --   -0.12192  -0.12134  -0.12131  -0.11510  -0.10951
 Alpha virt. eigenvalues --   -0.10948  -0.09758  -0.09729  -0.09725  -0.08913
 Alpha virt. eigenvalues --   -0.08912  -0.08668  -0.08170  -0.08167  -0.07473
 Alpha virt. eigenvalues --   -0.06949  -0.06946  -0.06359  -0.05917  -0.05110
 Alpha virt. eigenvalues --   -0.05107  -0.04743  -0.04730  -0.04727  -0.04101
 Alpha virt. eigenvalues --   -0.03906  -0.03901  -0.03335  -0.02513  -0.02511
 Alpha virt. eigenvalues --   -0.02118  -0.02117  -0.02104  -0.01272  -0.01268
 Alpha virt. eigenvalues --   -0.01149  -0.00582  -0.00580   0.00335   0.00686
 Alpha virt. eigenvalues --    0.00691   0.00915   0.01230   0.01232   0.01461
 Alpha virt. eigenvalues --    0.01930   0.03285   0.03636   0.03639   0.04128
 Alpha virt. eigenvalues --    0.04952   0.05083   0.05089   0.05432   0.05655
 Alpha virt. eigenvalues --    0.05658   0.06482   0.06488   0.07403   0.07412
 Alpha virt. eigenvalues --    0.07959   0.08022   0.08401   0.08403   0.08778
 Alpha virt. eigenvalues --    0.08950   0.08956   0.09446   0.09821   0.09822
 Alpha virt. eigenvalues --    0.10554   0.10916   0.10919   0.11285   0.11292
 Alpha virt. eigenvalues --    0.11533   0.11869   0.11871   0.12512   0.12515
 Alpha virt. eigenvalues --    0.12690   0.13331   0.13906   0.13909   0.15015
 Alpha virt. eigenvalues --    0.15016   0.16220   0.16313   0.17897   0.17954
 Alpha virt. eigenvalues --    0.17955   0.18644   0.18645   0.19013   0.19095
 Alpha virt. eigenvalues --    0.19095   0.20741   0.21974   0.22211   0.22221
 Alpha virt. eigenvalues --    0.22290   0.22734   0.22741   0.24731   0.25017
 Alpha virt. eigenvalues --    0.25028   0.25423   0.26331   0.26395   0.26396
 Alpha virt. eigenvalues --    0.26709   0.26947   0.26952   0.27329   0.27337
 Alpha virt. eigenvalues --    0.27872   0.29095   0.29099   0.29666   0.30101
 Alpha virt. eigenvalues --    0.30105   0.30618   0.30622   0.31557   0.32057
 Alpha virt. eigenvalues --    0.32174   0.32180   0.32193   0.32231   0.32237
 Alpha virt. eigenvalues --    0.32812   0.33050   0.33054   0.33874   0.34557
 Alpha virt. eigenvalues --    0.34562   0.34975   0.34979   0.35537   0.35537
 Alpha virt. eigenvalues --    0.36341   0.36398   0.36404   0.37083   0.37345
 Alpha virt. eigenvalues --    0.37572   0.37583   0.38728   0.38860   0.38864
 Alpha virt. eigenvalues --    0.41321   0.41680   0.41821   0.42436   0.42446
 Alpha virt. eigenvalues --    0.42746   0.42750   0.43517   0.43524   0.44146
 Alpha virt. eigenvalues --    0.44148   0.44598   0.45658   0.46265   0.46273
 Alpha virt. eigenvalues --    0.46898   0.47197   0.47201   0.48659   0.48660
 Alpha virt. eigenvalues --    0.50269   0.51062   0.51068   0.51078   0.52151
 Alpha virt. eigenvalues --    0.53645   0.53648   0.54141   0.55232   0.55245
 Alpha virt. eigenvalues --    0.56745   0.56752   0.56976   0.57566   0.57784
 Alpha virt. eigenvalues --    0.59781   0.59782   0.61000   0.61108   0.61115
 Alpha virt. eigenvalues --    0.61123   0.62806   0.62815   0.63796   0.63803
 Alpha virt. eigenvalues --    0.66200   0.66212   0.68523   0.68867   0.68874
 Alpha virt. eigenvalues --    0.70522   0.72293   0.72895   0.72907   0.72960
 Alpha virt. eigenvalues --    0.72968   0.74235   0.75533   0.75541   0.79022
 Alpha virt. eigenvalues --    0.79034   0.80000   0.81594   0.81878   0.81890
 Alpha virt. eigenvalues --    0.84207   0.84834   0.85387   0.85394   0.87186
 Alpha virt. eigenvalues --    0.88782   0.88805   0.91398   0.91415   0.92497
 Alpha virt. eigenvalues --    0.93304   0.93308   0.96018   0.96052   0.97293
 Alpha virt. eigenvalues --    0.97299   0.99874   0.99882   1.00273   1.00278
 Alpha virt. eigenvalues --    1.01537   1.02227   1.02240   1.02287   1.05602
 Alpha virt. eigenvalues --    1.05607   1.07925   1.10323   1.12928   1.12937
 Alpha virt. eigenvalues --    1.13121   1.15013   1.15048   1.15164   1.15172
 Alpha virt. eigenvalues --    1.17032   1.17669   1.17822   1.17826   1.18971
 Alpha virt. eigenvalues --    1.18977   1.26092   1.26238   1.26246   1.26737
 Alpha virt. eigenvalues --    1.31607   1.33013   1.33050   1.34881   1.34888
 Alpha virt. eigenvalues --    1.36042   1.37441   1.42221   1.42225   1.42350
 Alpha virt. eigenvalues --    1.43030   1.43032   1.43339   1.44391   1.45785
 Alpha virt. eigenvalues --    1.46087   1.46110   1.47003   1.47010   1.47341
 Alpha virt. eigenvalues --    1.47350   1.48311   1.48319   1.49058   1.49179
 Alpha virt. eigenvalues --    1.52711   1.52718   1.56107   1.56124   1.56131
 Alpha virt. eigenvalues --    1.57825   1.60322   1.60345   1.63494   1.63501
 Alpha virt. eigenvalues --    1.65122   1.65954   1.66339   1.66342   1.67381
 Alpha virt. eigenvalues --    1.67418   1.68489   1.68493   1.70023   1.71169
 Alpha virt. eigenvalues --    1.71176   1.74524   1.75160   1.75178   1.77076
 Alpha virt. eigenvalues --    1.78667   1.78682   1.79195   1.80562   1.82221
 Alpha virt. eigenvalues --    1.82708   1.82718   1.84347   1.85793   1.85804
 Alpha virt. eigenvalues --    1.87717   1.87731   1.90535   1.90542   1.91709
 Alpha virt. eigenvalues --    1.93941   1.93950   1.95298   1.96287   1.96296
 Alpha virt. eigenvalues --    1.96740   1.98849   1.98851   1.99217   1.99662
 Alpha virt. eigenvalues --    1.99671   2.01712   2.02606   2.02625   2.03652
 Alpha virt. eigenvalues --    2.04903   2.06065   2.06085   2.07247   2.07253
 Alpha virt. eigenvalues --    2.09313   2.10311   2.10328   2.16108   2.16122
 Alpha virt. eigenvalues --    2.16233   2.16916   2.17548   2.17562   2.19126
 Alpha virt. eigenvalues --    2.20040   2.20044   2.22487   2.23036   2.23042
 Alpha virt. eigenvalues --    2.25636   2.25649   2.25757   2.27086   2.27088
 Alpha virt. eigenvalues --    2.27549   2.29680   2.30544   2.30549   2.34003
 Alpha virt. eigenvalues --    2.34497   2.34515   2.36653   2.36959   2.36972
 Alpha virt. eigenvalues --    2.38400   2.38412   2.38469   2.40228   2.45302
 Alpha virt. eigenvalues --    2.45318   2.45765   2.47372   2.47386   2.47509
 Alpha virt. eigenvalues --    2.48331   2.48361   2.50316   2.50944   2.50947
 Alpha virt. eigenvalues --    2.53658   2.53676   2.54911   2.55644   2.55652
 Alpha virt. eigenvalues --    2.56129   2.58608   2.58614   2.61095   2.61622
 Alpha virt. eigenvalues --    2.63199   2.63216   2.64709   2.67954   2.68241
 Alpha virt. eigenvalues --    2.68257   2.69319   2.70721   2.70732   2.75527
 Alpha virt. eigenvalues --    2.76536   2.76548   2.79333   2.79351   2.79791
 Alpha virt. eigenvalues --    2.81083   2.81101   2.82591   2.86911   2.86924
 Alpha virt. eigenvalues --    2.88654   2.88682   2.88870   2.91254   2.91262
 Alpha virt. eigenvalues --    2.91300   2.94030   2.94134   2.94145   2.95715
 Alpha virt. eigenvalues --    2.95728   2.97690   2.98126   2.98130   2.98545
 Alpha virt. eigenvalues --    2.99982   3.00769   3.00795   3.01012   3.02409
 Alpha virt. eigenvalues --    3.02418   3.06339   3.06586   3.07707   3.08696
 Alpha virt. eigenvalues --    3.08704   3.11612   3.12483   3.12513   3.13764
 Alpha virt. eigenvalues --    3.13785   3.17694   3.17696   3.20581   3.20587
 Alpha virt. eigenvalues --    3.20678   3.21065   3.23501   3.23523   3.31810
 Alpha virt. eigenvalues --    3.32719   3.32731   3.33398   3.35754   3.35771
 Alpha virt. eigenvalues --    3.45015   3.45022   3.46118   3.48485   3.48612
 Alpha virt. eigenvalues --    3.51522   3.51525   3.55167   3.55170   3.57574
 Alpha virt. eigenvalues --    3.60118   3.60130   3.67371   3.68150   3.68151
 Alpha virt. eigenvalues --    3.70938   3.70942   3.71059   3.74281   3.75409
 Alpha virt. eigenvalues --    3.75414   3.80225   3.80579   3.80597   3.88301
 Alpha virt. eigenvalues --    3.91592   3.91660   3.91669   3.91822   3.94635
 Alpha virt. eigenvalues --    3.94642   3.99040   3.99042   4.00230   4.00233
 Alpha virt. eigenvalues --    4.02636   4.02651   4.04698   4.09421   4.12503
 Alpha virt. eigenvalues --    4.12507   4.12675   4.16056   4.16627   4.16644
 Alpha virt. eigenvalues --    4.30203   4.30215   4.31742   4.35094   4.35103
 Alpha virt. eigenvalues --    4.35392   4.41094   4.42837   4.42841   4.45908
 Alpha virt. eigenvalues --    4.45909   4.46371   4.50071   4.51524   4.53544
 Alpha virt. eigenvalues --    4.53556   4.56318   4.56805   4.56821   4.57333
 Alpha virt. eigenvalues --    4.60982   4.60997   4.61070   4.66842   4.66862
 Alpha virt. eigenvalues --    4.71200   4.72181   4.72187   4.76239   4.77099
 Alpha virt. eigenvalues --    4.77104   4.79281   4.79283   4.82342   4.85825
 Alpha virt. eigenvalues --    4.87905   4.87923   4.87939   4.91414   4.91423
 Alpha virt. eigenvalues --    4.92453   4.92462   4.93256   4.94765   4.94771
 Alpha virt. eigenvalues --    5.07514   5.09361   5.09379   5.13734   5.19375
 Alpha virt. eigenvalues --    5.19391   5.21674   5.22876   5.22901   5.24420
 Alpha virt. eigenvalues --    5.26756   5.26762   5.50273   5.51516   5.52018
 Alpha virt. eigenvalues --    5.52038   5.52285   5.52293  22.25112  22.25124
 Alpha virt. eigenvalues --   22.25591  22.29167  22.31645  22.31666  30.47582
 Alpha virt. eigenvalues --   31.89088  31.98185  32.05757  32.05776  32.14497
 Alpha virt. eigenvalues --   32.14542 100.12122
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.044832  -0.244471   0.025798  -0.053454   0.134537  -0.002557
     2  C   -0.244471   6.044698   0.134021  -0.053277   0.025395   0.003068
     3  N    0.025798   0.134021   6.783462  -0.040868  -0.075164  -0.012502
     4  Rh  -0.053454  -0.053277  -0.040868  17.231141  -0.040970  -0.041075
     5  N    0.134537   0.025395  -0.075164  -0.040970   6.783064  -0.023928
     6  N   -0.002557   0.003068  -0.012502  -0.041075  -0.023928   6.783423
     7  C    0.003023  -0.003290   0.003070  -0.053403  -0.027782   0.134006
     8  C   -0.003519   0.003009  -0.002561  -0.053239   0.034057   0.025789
     9  N    0.034042  -0.027769  -0.023831  -0.040524  -0.011626  -0.075328
    10  N    0.003066  -0.002571  -0.023967  -0.041205  -0.012474  -0.011804
    11  C   -0.003289   0.002987  -0.027746  -0.053325   0.003049   0.034088
    12  C    0.003003  -0.003565   0.034050  -0.053160  -0.002582  -0.027791
    13  N   -0.027805   0.034069  -0.011901  -0.040577  -0.023972  -0.023864
    14  H   -0.002349   0.002224   0.001850   0.011270  -0.011947   0.006066
    15  H    0.000849   0.000225   0.000160  -0.005511   0.000983  -0.009681
    16  H    0.000275   0.000039   0.000764   0.011260  -0.001140  -0.017798
    17  H   -0.000240   0.000092   0.000082  -0.005526  -0.000454  -0.058430
    18  H    0.000038   0.000278  -0.001140   0.011285   0.000768  -0.011931
    19  H    0.000094  -0.000243  -0.000439  -0.005513   0.000081   0.000988
    20  H    0.002234  -0.002359  -0.011954   0.011252   0.001875  -0.001138
    21  H    0.000227   0.000852   0.000987  -0.005496   0.000161  -0.000444
    22  H   -0.021271   0.316209  -0.017867   0.011291   0.006040   0.000767
    23  H   -0.015442   0.297354  -0.058486  -0.005523  -0.009692   0.000082
    24  H    0.316037  -0.021386   0.006023   0.011309  -0.017622   0.001854
    25  H    0.297499  -0.015322  -0.009672  -0.005514  -0.058364   0.000162
    26  H   -0.074901   0.054872  -0.007283  -0.018421   0.384460  -0.010460
    27  H   -0.004788  -0.020929  -0.015128   0.025925   0.306179  -0.004482
    28  H    0.054924  -0.075048   0.384713  -0.018372  -0.007314  -0.001462
    29  H   -0.021037  -0.004605   0.305843   0.026001  -0.015090  -0.002757
    30  H   -0.007636   0.015991  -0.017538  -0.018224  -0.010482   0.004446
    31  H   -0.006709   0.003401   0.005177   0.025937  -0.004531   0.000977
    32  H    0.000916  -0.000298   0.004449  -0.018384  -0.001462  -0.017493
    33  H    0.001160  -0.002848   0.000999   0.025925  -0.002762   0.005187
    34  H   -0.000290   0.000910  -0.001463  -0.018499   0.004441   0.384812
    35  H   -0.002855   0.001165  -0.002760   0.025938   0.000964   0.305869
    36  H    0.015865  -0.007634  -0.010455  -0.018249  -0.017447  -0.007305
    37  H    0.003383  -0.006670  -0.004451   0.025827   0.005213  -0.015112
               7          8          9         10         11         12
     1  C    0.003023  -0.003519   0.034042   0.003066  -0.003289   0.003003
     2  C   -0.003290   0.003009  -0.027769  -0.002571   0.002987  -0.003565
     3  N    0.003070  -0.002561  -0.023831  -0.023967  -0.027746   0.034050
     4  Rh  -0.053403  -0.053239  -0.040524  -0.041205  -0.053325  -0.053160
     5  N   -0.027782   0.034057  -0.011626  -0.012474   0.003049  -0.002582
     6  N    0.134006   0.025789  -0.075328  -0.011804   0.034088  -0.027791
     7  C    6.045075  -0.244710   0.025459   0.034090  -0.003571   0.002986
     8  C   -0.244710   6.044750   0.134170  -0.027832   0.003029  -0.003298
     9  N    0.025459   0.134170   6.782778  -0.024037  -0.002577   0.003047
    10  N    0.034090  -0.027832  -0.024037   6.784218   0.134312   0.025628
    11  C   -0.003571   0.003029  -0.002577   0.134312   6.045236  -0.244832
    12  C    0.002986  -0.003298   0.003047   0.025628  -0.244832   6.044889
    13  N   -0.002594   0.003086  -0.012469  -0.075400   0.025667   0.134020
    14  H   -0.021334   0.316077  -0.017679  -0.001141   0.000278   0.000038
    15  H   -0.015270   0.297480  -0.058282  -0.000455  -0.000240   0.000093
    16  H    0.316050  -0.021172   0.006049  -0.011996  -0.002365   0.002234
    17  H    0.297550  -0.015431  -0.009690   0.000980   0.000860   0.000223
    18  H   -0.002331   0.002222   0.001868  -0.017696   0.315997  -0.021295
    19  H    0.000847   0.000227   0.000163  -0.058430   0.297588  -0.015439
    20  H    0.000278   0.000037   0.000768   0.006070  -0.021296   0.316168
    21  H   -0.000243   0.000093   0.000081  -0.009660  -0.015535   0.297528
    22  H    0.000039   0.000275  -0.001140   0.001873   0.002234  -0.002365
    23  H    0.000093  -0.000241  -0.000451   0.000159   0.000224   0.000860
    24  H    0.002218  -0.002330  -0.011915   0.000767   0.000038   0.000278
    25  H    0.000226   0.000846   0.000984   0.000081   0.000094  -0.000242
    26  H   -0.007665   0.015930  -0.017444  -0.001465   0.000912  -0.000294
    27  H   -0.006680   0.003383   0.005216  -0.002767   0.001164  -0.002858
    28  H    0.000915  -0.000297   0.004448  -0.010462  -0.007609   0.015980
    29  H    0.001165  -0.002854   0.000975  -0.004504  -0.006713   0.003401
    30  H   -0.000299   0.000917  -0.001459  -0.007321   0.054948  -0.075003
    31  H   -0.002848   0.001161  -0.002753  -0.015120  -0.021058  -0.004558
    32  H    0.016034  -0.007692  -0.010483   0.384585  -0.074994   0.054952
    33  H    0.003377  -0.006692  -0.004534   0.305888  -0.004648  -0.021027
    34  H   -0.074861   0.054840  -0.007315  -0.017498   0.015968  -0.007627
    35  H   -0.004734  -0.021013  -0.015098   0.005204   0.003385  -0.006696
    36  H    0.054843  -0.074884   0.384636   0.004439  -0.000295   0.000911
    37  H   -0.021030  -0.004690   0.306292   0.000991  -0.002851   0.001161
              13         14         15         16         17         18
     1  C   -0.027805  -0.002349   0.000849   0.000275  -0.000240   0.000038
     2  C    0.034069   0.002224   0.000225   0.000039   0.000092   0.000278
     3  N   -0.011901   0.001850   0.000160   0.000764   0.000082  -0.001140
     4  Rh  -0.040577   0.011270  -0.005511   0.011260  -0.005526   0.011285
     5  N   -0.023972  -0.011947   0.000983  -0.001140  -0.000454   0.000768
     6  N   -0.023864   0.006066  -0.009681  -0.017798  -0.058430  -0.011931
     7  C   -0.002594  -0.021334  -0.015270   0.316050   0.297550  -0.002331
     8  C    0.003086   0.316077   0.297480  -0.021172  -0.015431   0.002222
     9  N   -0.012469  -0.017679  -0.058282   0.006049  -0.009690   0.001868
    10  N   -0.075400  -0.001141  -0.000455  -0.011996   0.000980  -0.017696
    11  C    0.025667   0.000278  -0.000240  -0.002365   0.000860   0.315997
    12  C    0.134020   0.000038   0.000093   0.002234   0.000223  -0.021295
    13  N    6.783942   0.000764   0.000081   0.001863   0.000157   0.006048
    14  H    0.000764   0.418398  -0.006771   0.011945  -0.006320  -0.000150
    15  H    0.000081  -0.006771   0.408969  -0.006343   0.020865   0.000047
    16  H    0.001863   0.011945  -0.006343   0.418622  -0.006811  -0.000646
    17  H    0.000157  -0.006320   0.020865  -0.006811   0.409053  -0.000007
    18  H    0.006048  -0.000150   0.000047  -0.000646  -0.000007   0.418394
    19  H   -0.009644  -0.000010   0.000015   0.000000   0.000031  -0.006697
    20  H   -0.017811  -0.000032  -0.000001  -0.000149  -0.000010   0.011937
    21  H   -0.058435  -0.000001   0.000003   0.000048   0.000015  -0.006314
    22  H   -0.011970  -0.000149  -0.000010  -0.000032  -0.000001  -0.000150
    23  H    0.000980   0.000048   0.000015  -0.000001   0.000003  -0.000010
    24  H   -0.001144  -0.000651  -0.000003  -0.000149   0.000048  -0.000032
    25  H   -0.000446  -0.000000   0.000031  -0.000010   0.000015  -0.000001
    26  H    0.004437   0.005087   0.000256  -0.000361   0.001361   0.000047
    27  H    0.001054   0.001748  -0.000143   0.000182  -0.000540   0.000537
    28  H   -0.017529  -0.000047   0.000145   0.000046   0.000019  -0.000362
    29  H    0.005181   0.000609  -0.000059   0.000537   0.000010   0.000179
    30  H    0.384686   0.000047   0.000019  -0.000046   0.000145  -0.002855
    31  H    0.305896   0.000537   0.000010   0.000612  -0.000058  -0.000184
    32  H   -0.007324  -0.000366   0.001370   0.005129   0.000255  -0.019045
    33  H   -0.015125   0.000182  -0.000540   0.001761  -0.000141  -0.000351
    34  H   -0.010450  -0.002859   0.002084  -0.018989   0.017233   0.005087
    35  H   -0.004470  -0.000140  -0.004618  -0.000316  -0.022350   0.001755
    36  H   -0.001466  -0.018998   0.017276  -0.002869   0.002090  -0.000046
    37  H   -0.002758  -0.000337  -0.022413  -0.000119  -0.004613   0.000611
              19         20         21         22         23         24
     1  C    0.000094   0.002234   0.000227  -0.021271  -0.015442   0.316037
     2  C   -0.000243  -0.002359   0.000852   0.316209   0.297354  -0.021386
     3  N   -0.000439  -0.011954   0.000987  -0.017867  -0.058486   0.006023
     4  Rh  -0.005513   0.011252  -0.005496   0.011291  -0.005523   0.011309
     5  N    0.000081   0.001875   0.000161   0.006040  -0.009692  -0.017622
     6  N    0.000988  -0.001138  -0.000444   0.000767   0.000082   0.001854
     7  C    0.000847   0.000278  -0.000243   0.000039   0.000093   0.002218
     8  C    0.000227   0.000037   0.000093   0.000275  -0.000241  -0.002330
     9  N    0.000163   0.000768   0.000081  -0.001140  -0.000451  -0.011915
    10  N   -0.058430   0.006070  -0.009660   0.001873   0.000159   0.000767
    11  C    0.297588  -0.021296  -0.015535   0.002234   0.000224   0.000038
    12  C   -0.015439   0.316168   0.297528  -0.002365   0.000860   0.000278
    13  N   -0.009644  -0.017811  -0.058435  -0.011970   0.000980  -0.001144
    14  H   -0.000010  -0.000032  -0.000001  -0.000149   0.000048  -0.000651
    15  H    0.000015  -0.000001   0.000003  -0.000010   0.000015  -0.000003
    16  H    0.000000  -0.000149   0.000048  -0.000032  -0.000001  -0.000149
    17  H    0.000031  -0.000010   0.000015  -0.000001   0.000003   0.000048
    18  H   -0.006697   0.011937  -0.006314  -0.000150  -0.000010  -0.000032
    19  H    0.408942  -0.006358   0.020868   0.000048   0.000015  -0.000001
    20  H   -0.006358   0.418495  -0.006702  -0.000641  -0.000006  -0.000150
    21  H    0.020868  -0.006702   0.408948  -0.000004   0.000031  -0.000010
    22  H    0.000048  -0.000641  -0.000004   0.418549  -0.006786   0.011943
    23  H    0.000015  -0.000006   0.000031  -0.006786   0.409164  -0.006311
    24  H   -0.000001  -0.000150  -0.000010   0.011943  -0.006311   0.418285
    25  H    0.000003   0.000048   0.000015  -0.006370   0.020890  -0.006731
    26  H    0.000019  -0.000046   0.000145  -0.002875   0.002092  -0.019036
    27  H    0.000010   0.000610  -0.000060  -0.000125  -0.004622  -0.000349
    28  H    0.001369   0.005132   0.000255  -0.018974   0.017273  -0.002844
    29  H   -0.000540   0.001754  -0.000141  -0.000315  -0.022353  -0.000176
    30  H    0.002095  -0.018972   0.017222   0.005142   0.000252  -0.000364
    31  H   -0.004626  -0.000340  -0.022348   0.001750  -0.000140   0.000179
    32  H    0.017291  -0.002880   0.002096  -0.000046   0.000145   0.000047
    33  H   -0.022402  -0.000146  -0.004625   0.000612  -0.000058   0.000536
    34  H    0.000256  -0.000360   0.001363   0.000047   0.000019  -0.000046
    35  H   -0.000144   0.000180  -0.000540   0.000538   0.000010   0.000610
    36  H    0.000145   0.000047   0.000019  -0.000356   0.001359   0.005078
    37  H   -0.000059   0.000538   0.000010   0.000179  -0.000539   0.001741
              25         26         27         28         29         30
     1  C    0.297499  -0.074901  -0.004788   0.054924  -0.021037  -0.007636
     2  C   -0.015322   0.054872  -0.020929  -0.075048  -0.004605   0.015991
     3  N   -0.009672  -0.007283  -0.015128   0.384713   0.305843  -0.017538
     4  Rh  -0.005514  -0.018421   0.025925  -0.018372   0.026001  -0.018224
     5  N   -0.058364   0.384460   0.306179  -0.007314  -0.015090  -0.010482
     6  N    0.000162  -0.010460  -0.004482  -0.001462  -0.002757   0.004446
     7  C    0.000226  -0.007665  -0.006680   0.000915   0.001165  -0.000299
     8  C    0.000846   0.015930   0.003383  -0.000297  -0.002854   0.000917
     9  N    0.000984  -0.017444   0.005216   0.004448   0.000975  -0.001459
    10  N    0.000081  -0.001465  -0.002767  -0.010462  -0.004504  -0.007321
    11  C    0.000094   0.000912   0.001164  -0.007609  -0.006713   0.054948
    12  C   -0.000242  -0.000294  -0.002858   0.015980   0.003401  -0.075003
    13  N   -0.000446   0.004437   0.001054  -0.017529   0.005181   0.384686
    14  H   -0.000000   0.005087   0.001748  -0.000047   0.000609   0.000047
    15  H    0.000031   0.000256  -0.000143   0.000145  -0.000059   0.000019
    16  H   -0.000010  -0.000361   0.000182   0.000046   0.000537  -0.000046
    17  H    0.000015   0.001361  -0.000540   0.000019   0.000010   0.000145
    18  H   -0.000001   0.000047   0.000537  -0.000362   0.000179  -0.002855
    19  H    0.000003   0.000019   0.000010   0.001369  -0.000540   0.002095
    20  H    0.000048  -0.000046   0.000610   0.005132   0.001754  -0.018972
    21  H    0.000015   0.000145  -0.000060   0.000255  -0.000141   0.017222
    22  H   -0.006370  -0.002875  -0.000125  -0.018974  -0.000315   0.005142
    23  H    0.020890   0.002092  -0.004622   0.017273  -0.022353   0.000252
    24  H   -0.006731  -0.019036  -0.000349  -0.002844  -0.000176  -0.000364
    25  H    0.409034   0.017322  -0.022425   0.002093  -0.004622   0.001371
    26  H    0.017322   0.545385  -0.105481  -0.001003  -0.000254   0.004483
    27  H   -0.022425  -0.105481   0.559932  -0.000259   0.002541  -0.005776
    28  H    0.002093  -0.001003  -0.000259   0.545459  -0.105653  -0.005405
    29  H   -0.004622  -0.000254   0.002541  -0.105653   0.560522  -0.000601
    30  H    0.001371   0.004483  -0.005776  -0.005405  -0.000601   0.545429
    31  H   -0.000540   0.000318  -0.000152  -0.000602   0.000290  -0.105631
    32  H    0.000019  -0.000149  -0.000442   0.004495   0.000312  -0.001004
    33  H    0.000010  -0.000440  -0.000363  -0.005785  -0.000137  -0.000251
    34  H    0.000145   0.004488   0.000303  -0.000150  -0.000440   0.004497
    35  H   -0.000059  -0.005797  -0.000150  -0.000439  -0.000362   0.000310
    36  H    0.000255  -0.005389  -0.000599   0.004491  -0.005779  -0.000149
    37  H   -0.000144  -0.000605   0.000284   0.000307  -0.000164  -0.000439
              31         32         33         34         35         36
     1  C   -0.006709   0.000916   0.001160  -0.000290  -0.002855   0.015865
     2  C    0.003401  -0.000298  -0.002848   0.000910   0.001165  -0.007634
     3  N    0.005177   0.004449   0.000999  -0.001463  -0.002760  -0.010455
     4  Rh   0.025937  -0.018384   0.025925  -0.018499   0.025938  -0.018249
     5  N   -0.004531  -0.001462  -0.002762   0.004441   0.000964  -0.017447
     6  N    0.000977  -0.017493   0.005187   0.384812   0.305869  -0.007305
     7  C   -0.002848   0.016034   0.003377  -0.074861  -0.004734   0.054843
     8  C    0.001161  -0.007692  -0.006692   0.054840  -0.021013  -0.074884
     9  N   -0.002753  -0.010483  -0.004534  -0.007315  -0.015098   0.384636
    10  N   -0.015120   0.384585   0.305888  -0.017498   0.005204   0.004439
    11  C   -0.021058  -0.074994  -0.004648   0.015968   0.003385  -0.000295
    12  C   -0.004558   0.054952  -0.021027  -0.007627  -0.006696   0.000911
    13  N    0.305896  -0.007324  -0.015125  -0.010450  -0.004470  -0.001466
    14  H    0.000537  -0.000366   0.000182  -0.002859  -0.000140  -0.018998
    15  H    0.000010   0.001370  -0.000540   0.002084  -0.004618   0.017276
    16  H    0.000612   0.005129   0.001761  -0.018989  -0.000316  -0.002869
    17  H   -0.000058   0.000255  -0.000141   0.017233  -0.022350   0.002090
    18  H   -0.000184  -0.019045  -0.000351   0.005087   0.001755  -0.000046
    19  H   -0.004626   0.017291  -0.022402   0.000256  -0.000144   0.000145
    20  H   -0.000340  -0.002880  -0.000146  -0.000360   0.000180   0.000047
    21  H   -0.022348   0.002096  -0.004625   0.001363  -0.000540   0.000019
    22  H    0.001750  -0.000046   0.000612   0.000047   0.000538  -0.000356
    23  H   -0.000140   0.000145  -0.000058   0.000019   0.000010   0.001359
    24  H    0.000179   0.000047   0.000536  -0.000046   0.000610   0.005078
    25  H   -0.000540   0.000019   0.000010   0.000145  -0.000059   0.000255
    26  H    0.000318  -0.000149  -0.000440   0.004488  -0.005797  -0.005389
    27  H   -0.000152  -0.000442  -0.000363   0.000303  -0.000150  -0.000599
    28  H   -0.000602   0.004495  -0.005785  -0.000150  -0.000439   0.004491
    29  H    0.000290   0.000312  -0.000137  -0.000440  -0.000362  -0.005779
    30  H   -0.105631  -0.001004  -0.000251   0.004497   0.000310  -0.000149
    31  H    0.560556  -0.000249   0.002546  -0.005802  -0.000158  -0.000439
    32  H   -0.000249   0.545579  -0.105524  -0.005392  -0.000609   0.004491
    33  H    0.002546  -0.105524   0.560274  -0.000600   0.000287   0.000313
    34  H   -0.005802  -0.005392  -0.000600   0.545357  -0.105566  -0.001002
    35  H   -0.000158  -0.000609   0.000287  -0.105566   0.560515  -0.000255
    36  H   -0.000439   0.004491   0.000313  -0.001002  -0.000255   0.545226
    37  H   -0.000362  -0.005806  -0.000166  -0.000255   0.002543  -0.105525
              37
     1  C    0.003383
     2  C   -0.006670
     3  N   -0.004451
     4  Rh   0.025827
     5  N    0.005213
     6  N   -0.015112
     7  C   -0.021030
     8  C   -0.004690
     9  N    0.306292
    10  N    0.000991
    11  C   -0.002851
    12  C    0.001161
    13  N   -0.002758
    14  H   -0.000337
    15  H   -0.022413
    16  H   -0.000119
    17  H   -0.004613
    18  H    0.000611
    19  H   -0.000059
    20  H    0.000538
    21  H    0.000010
    22  H    0.000179
    23  H   -0.000539
    24  H    0.001741
    25  H   -0.000144
    26  H   -0.000605
    27  H    0.000284
    28  H    0.000307
    29  H   -0.000164
    30  H   -0.000439
    31  H   -0.000362
    32  H   -0.005806
    33  H   -0.000166
    34  H   -0.000255
    35  H    0.002543
    36  H   -0.105525
    37  H    0.560107
 Mulliken charges:
               1
     1  C   -0.449190
     2  C   -0.448575
     3  N   -0.314266
     4  Rh   0.253944
     5  N   -0.314461
     6  N   -0.314243
     7  C   -0.448700
     8  C   -0.448921
     9  N   -0.314573
    10  N   -0.314544
    11  C   -0.449113
    12  C   -0.448819
    13  N   -0.314779
    14  H    0.314112
    15  H    0.379366
    16  H    0.313898
    17  H    0.379534
    18  H    0.314146
    19  H    0.379449
    20  H    0.313928
    21  H    0.379593
    22  H    0.313911
    23  H    0.379591
    24  H    0.314257
    25  H    0.379319
    26  H    0.237755
    27  H    0.290047
    28  H    0.237552
    29  H    0.289838
    30  H    0.237453
    31  H    0.289861
    32  H    0.237476
    33  H    0.290107
    34  H    0.237609
    35  H    0.289860
    36  H    0.237657
    37  H    0.289921
 Sum of Mulliken charges =   3.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.244386
     2  C    0.244927
     3  N    0.213124
     4  Rh   0.253944
     5  N    0.213341
     6  N    0.213226
     7  C    0.244732
     8  C    0.244557
     9  N    0.213005
    10  N    0.213039
    11  C    0.244482
    12  C    0.244702
    13  N    0.212535
 Electronic spatial extent (au):  <R**2>=           2783.9017
 Charge=              3.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0004    Y=              0.0007    Z=             -0.0002  Tot=              0.0008
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -30.7198   YY=            -30.7597   ZZ=            -54.5316
   XY=             -0.0020   XZ=             -0.0032   YZ=              0.0004
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              7.9506   YY=              7.9107   ZZ=            -15.8612
   XY=             -0.0020   XZ=             -0.0032   YZ=              0.0004
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             13.6044  YYY=             33.5253  ZZZ=             -0.0018  XYY=            -13.6006
  XXY=            -33.5659  XXZ=             -0.0082  XZZ=              0.0188  YZZ=             -0.0190
  YYZ=              0.0022  XYZ=             -0.0014
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1020.7125 YYYY=          -1019.8323 ZZZZ=           -331.4131 XXXY=             -0.0101
 XXXZ=             32.4526 YYYX=              0.0092 YYYZ=            -13.1623 ZZZX=              0.0095
 ZZZY=              0.0378 XXYY=           -340.0963 XXZZ=           -229.4673 YYZZ=           -229.3492
 XXYZ=             13.1645 YYXZ=            -32.4806 ZZXY=             -0.0180
 N-N= 1.198454714059D+03 E-N=-3.907267788270D+03  KE= 6.086969685926D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 23 00:30:40 2021, MaxMem=  5637144576 cpu:               4.0 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.57041775D-04 2.84772257D-04-7.33539917D-05
 Polarizability= 1.50650499D+02-2.45177805D-03 1.50603333D+02
                 1.66914436D-04 3.06928015D-03 1.17003112D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0035    0.0001       -0.0026   -0.0017
 2      0.0035   -0.0001       -0.0040   -0.0019       -0.0314   -0.0271
 3      0.0026    0.0017       18.3081   18.3044        0.0030    0.0019
 4      0.0040    0.0019       -0.0000    0.0000       -0.0007    0.0017
 5    -18.2768  -18.2773        0.0007   -0.0017       -0.0026    0.0001
 6     -0.0030   -0.0019        0.0026   -0.0001        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0002   -0.0002       -0.0052   -0.0052
 2      0.0058    0.0058       -0.0000    0.0000       -0.0052   -0.0052
 3      0.0058    0.0058       -0.0002   -0.0002       -0.0000    0.0000
 4     -0.0002   -0.0002       -0.0058   -0.0058       -0.0812   -0.0812
 5      0.0052    0.0052       54.9131   54.9131        0.0058    0.0058
 6    -54.8320  -54.8320       -0.0052   -0.0052        0.0002    0.0002
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1620    0.0000        0.0754   -0.0003        0.0566    0.0069
 2     -0.0695    0.0003        0.1831    0.0077        0.1044    0.1082
 3     -0.0043   -0.0069      -73.1791  -73.2175       -0.0464   -0.0077
 4     -0.0886   -0.0077        0.0738    0.0000        0.1470   -0.0069
 5     73.1287   73.1093       -0.0879    0.0069       -0.0126   -0.0003
 6     -0.0411    0.0077        0.0462    0.0003        0.0414    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.5172    0.0000        0.0047    0.0285       -0.4718    0.0277
 2     -0.4204   -0.0285        0.3884    0.0025       -0.5359    0.0566
 3     -0.3456   -0.0277      -18.7266  -18.7262        1.0229   -0.0025
 4     -0.0770   -0.0025        0.0068    0.0000        0.4627   -0.0277
 5     18.1330   18.6696        0.2513    0.0277        0.1672    0.0285
 6     -0.1505    0.0025       -0.0150   -0.0285        0.0039    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -34.9251  -34.8315       85.7713   85.8175       -0.0527   -0.0116
 2    -34.9184  -34.8394       85.8056   85.8415       -0.0518   -0.0116
 3    -34.9081  -34.8394       85.8104   85.8175       -0.0005   -0.0175
 4      0.0522   -0.0240       -0.1643    0.0079       -0.0502    0.0120
 5     -0.0171   -0.0060      -37.1420  -37.1422        0.1552   -0.0079
 6     36.9056   37.1302        0.0831    0.0060        0.1825    0.0240
 Full mass-weighted force constant matrix:
 Low frequencies ---   -0.0006   -0.0004    0.0003    5.9684   15.3289   17.0278
 Low frequencies ---   83.5307   85.6235  116.1719
 Diagonal vibrational polarizability:
       15.3975984      15.2519679      11.2169964
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     83.4767                85.5903               116.1570
 Red. masses --      3.0249                 3.0350                 2.8829
 Frc consts  --      0.0124                 0.0131                 0.0229
 IR Inten    --      0.0222                 0.0168                 0.5762
 RamAct Fr= 1--      1.0772                 1.0823                 0.0021
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7256
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8410
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1539                 0.1546                 0.0003
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--      0.1181                 0.1205                 0.0028
 Delta2 Fr= 1--     -0.0529                -0.0548                 0.0003
 Raman1 Fr= 1--       4.309                  4.329                  0.008
 ROA1   Fr= 1--       9.640                  9.816                  0.280
 CID1   Fr= 1--       2.237                  2.268                 33.693
 Raman2 Fr= 1--       1.847                  1.855                  0.003
 ROA2   Fr= 1--       3.257                  3.332                  0.065
 CID2   Fr= 1--       1.764                  1.796                 18.506
 Raman3 Fr= 1--       3.693                  3.711                  0.007
 ROA3   Fr= 1--       9.640                  9.816                  0.280
 CID3   Fr= 1--       2.610                  2.645                 40.064
 RC180  Fr= 1--       0.714                  0.714                  0.682
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.07  -0.01     0.18  -0.09  -0.06     0.04  -0.03  -0.10
     2   6     0.00  -0.12  -0.04     0.07  -0.16  -0.05     0.02  -0.04  -0.11
     3   7    -0.03  -0.06  -0.01    -0.02   0.00   0.03     0.02   0.08   0.02
     4  45    -0.04  -0.01  -0.00    -0.01   0.04   0.00    -0.00  -0.00   0.07
     5   7    -0.03   0.01   0.03     0.05   0.02   0.01    -0.08   0.01   0.02
     6   7    -0.04   0.05  -0.01     0.02   0.01  -0.03     0.04  -0.07   0.02
     7   6    -0.03   0.14  -0.05    -0.03  -0.16   0.04     0.01   0.05  -0.11
     8   6     0.04   0.09  -0.02    -0.14  -0.12   0.06     0.03   0.04  -0.11
     9   7    -0.02  -0.02   0.03    -0.06   0.01  -0.00    -0.08  -0.03   0.03
    10   7     0.00  -0.04  -0.02    -0.04   0.04  -0.02     0.06  -0.05   0.03
    11   6     0.21  -0.05   0.06    -0.00   0.04  -0.02    -0.04   0.01  -0.10
    12   6     0.19   0.09   0.06     0.01   0.05   0.02    -0.04  -0.02  -0.10
    13   7    -0.01   0.03  -0.02     0.02   0.05   0.02     0.04   0.06   0.02
    14   1     0.13   0.08   0.01    -0.27  -0.07   0.07     0.15  -0.00  -0.10
    15   1     0.05   0.14  -0.04    -0.16  -0.23   0.11    -0.01   0.11  -0.19
    16   1    -0.11   0.16  -0.06     0.09  -0.23   0.02    -0.12   0.10  -0.12
    17   1     0.02   0.20  -0.08    -0.08  -0.23   0.08     0.09   0.09  -0.20
    18   1     0.24  -0.21   0.06     0.02   0.04  -0.04    -0.07   0.13  -0.09
    19   1     0.32  -0.00   0.12    -0.02   0.04  -0.02    -0.09  -0.06  -0.18
    20   1     0.18   0.26   0.06    -0.01   0.06   0.04    -0.03  -0.14  -0.11
    21   1     0.31   0.08   0.12     0.04   0.05   0.03    -0.11   0.03  -0.19
    22   1    -0.06  -0.15  -0.06    -0.03  -0.27  -0.03    -0.08  -0.13  -0.11
    23   1     0.05  -0.17  -0.07     0.15  -0.22  -0.10     0.10  -0.06  -0.20
    24   1     0.11  -0.05   0.02     0.29  -0.01  -0.07     0.14   0.04  -0.10
    25   1     0.05  -0.10  -0.03     0.22  -0.20  -0.12     0.02  -0.11  -0.19
    26   1    -0.02   0.05   0.10     0.09   0.09   0.09    -0.10   0.03   0.12
    27   1    -0.10   0.03  -0.01    -0.06   0.02  -0.04    -0.20   0.02  -0.03
    28   1    -0.06  -0.07   0.01    -0.10  -0.01   0.13    -0.00   0.09   0.11
    29   1    -0.00  -0.02  -0.02    -0.00   0.12  -0.03     0.05   0.19  -0.03
    30   1    -0.06   0.11  -0.13     0.03   0.05   0.04     0.07   0.06   0.11
    31   1    -0.08  -0.08   0.04     0.04   0.05   0.01     0.10   0.16  -0.03
    32   1    -0.03  -0.13  -0.13    -0.04   0.03  -0.05     0.09  -0.04   0.12
    33   1    -0.09   0.05   0.04    -0.06   0.04  -0.01     0.15  -0.13  -0.03
    34   1    -0.09   0.05   0.03     0.09   0.02  -0.13     0.02  -0.09   0.11
    35   1    -0.01   0.00  -0.03    -0.03   0.12   0.03     0.10  -0.17  -0.03
    36   1     0.01  -0.06   0.10    -0.11   0.06  -0.08    -0.09  -0.06   0.13
    37   1    -0.09  -0.05  -0.01     0.04   0.02   0.04    -0.19  -0.07  -0.03
                      4                      5                      6
                      A                      A                      A
 Frequencies --    143.1030               143.8430               163.2946
 Red. masses --      2.8937                 2.8933                 2.7492
 Frc consts  --      0.0349                 0.0353                 0.0432
 IR Inten    --      0.3026                 0.3197                 0.0117
 RamAct Fr= 1--      0.2225                 0.2115                 2.0988
  Dep-P Fr= 1--      0.7492                 0.7497                 0.7437
  Dep-U Fr= 1--      0.8566                 0.8570                 0.8530
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0002
 Beta2  Fr= 1--      0.0318                 0.0302                 0.2984
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0053
 Gamma2 Fr= 1--      0.9427                 0.9286                -3.0688
 Delta2 Fr= 1--      0.2277                 0.2253                -1.1493
 Raman1 Fr= 1--       0.890                  0.846                  8.395
 ROA1   Fr= 1--      97.780                 96.357               -331.387
 CID1   Fr= 1--     109.888                113.899                -39.474
 Raman2 Fr= 1--       0.381                  0.362                  3.581
 ROA2   Fr= 1--      20.803                 20.485                -64.457
 CID2   Fr= 1--      54.585                 56.510                -18.002
 Raman3 Fr= 1--       0.762                  0.725                  7.161
 ROA3   Fr= 1--      97.780                 96.357               -331.387
 CID3   Fr= 1--     128.285                132.909                -46.276
 RC180  Fr= 1--       0.713                  0.714                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.04   0.12    -0.05   0.03  -0.07     0.02  -0.04  -0.08
     2   6     0.03  -0.04  -0.08    -0.00   0.05  -0.10    -0.03   0.03   0.09
     3   7     0.08  -0.09  -0.08     0.04   0.03  -0.05    -0.07   0.07   0.08
     4  45     0.01   0.01  -0.00     0.01  -0.01  -0.00    -0.00  -0.00  -0.00
     5   7    -0.05   0.11   0.09    -0.06  -0.00  -0.02     0.05  -0.09  -0.08
     6   7     0.06   0.02  -0.07     0.05   0.11  -0.07     0.04   0.09  -0.08
     7   6     0.01  -0.03  -0.12     0.02   0.06  -0.06     0.02   0.04  -0.08
     8   6    -0.04  -0.05  -0.03    -0.00  -0.03   0.13    -0.01  -0.04   0.09
     9   7    -0.06  -0.05   0.00    -0.01  -0.12   0.09    -0.03  -0.09   0.08
    10   7     0.06   0.06   0.08    -0.11  -0.00  -0.05     0.10   0.02   0.08
    11   6    -0.00   0.02   0.14    -0.07   0.00  -0.03     0.04   0.01   0.08
    12   6    -0.07  -0.02   0.01     0.02  -0.01   0.14    -0.04  -0.00  -0.08
    13   7    -0.09  -0.04  -0.03     0.09  -0.04   0.09    -0.09  -0.00  -0.07
    14   1    -0.04  -0.01   0.02    -0.00   0.08   0.25    -0.00   0.05   0.19
    15   1    -0.08  -0.10  -0.04    -0.02  -0.14   0.18    -0.04  -0.13   0.11
    16   1    -0.03  -0.06  -0.17    -0.05  -0.02  -0.18    -0.04  -0.03  -0.18
    17   1     0.05  -0.00  -0.16     0.07   0.17  -0.09     0.06   0.13  -0.10
    18   1    -0.07  -0.03   0.22     0.01   0.04  -0.13    -0.04  -0.02   0.17
    19   1     0.06   0.06   0.19    -0.18  -0.01  -0.04     0.13   0.03   0.10
    20   1     0.00  -0.03  -0.07    -0.08   0.02   0.24     0.05  -0.02  -0.17
    21   1    -0.15  -0.05   0.01     0.11  -0.03   0.19    -0.13  -0.01  -0.10
    22   1    -0.06   0.02  -0.21    -0.03   0.05  -0.12     0.05  -0.02   0.19
    23   1     0.12  -0.13  -0.12     0.02   0.06  -0.13    -0.10   0.11   0.12
    24   1     0.00  -0.07   0.24    -0.04   0.02  -0.06    -0.02   0.05  -0.19
    25   1    -0.08   0.15   0.16    -0.09   0.04  -0.09     0.08  -0.12  -0.11
    26   1    -0.07   0.13   0.20    -0.09  -0.02   0.00     0.08  -0.10  -0.18
    27   1    -0.08   0.22   0.03    -0.08   0.00  -0.04     0.09  -0.17  -0.03
    28   1     0.09  -0.12  -0.19     0.08   0.04  -0.06    -0.07   0.10   0.16
    29   1     0.17  -0.16  -0.02     0.07   0.03  -0.04    -0.14   0.12   0.03
    30   1    -0.10  -0.08  -0.11     0.12  -0.05   0.17    -0.11  -0.02  -0.15
    31   1    -0.16  -0.05   0.01     0.18  -0.07   0.05    -0.17   0.01  -0.03
    32   1     0.08   0.09   0.15    -0.14   0.03  -0.15     0.12   0.01   0.17
    33   1     0.12   0.11   0.05    -0.20  -0.03   0.00     0.18   0.05   0.03
    34   1     0.09   0.02  -0.11     0.04   0.15  -0.17     0.03   0.12  -0.16
    35   1     0.11   0.04  -0.05     0.11   0.19  -0.01     0.09   0.16  -0.03
    36   1    -0.09  -0.04   0.06    -0.02  -0.15   0.20    -0.05  -0.11   0.17
    37   1    -0.08  -0.09  -0.02    -0.01  -0.22   0.04    -0.04  -0.18   0.03
                      7                      8                      9
                      A                      A                      A
 Frequencies --    214.4513               215.0331               220.8686
 Red. masses --      2.7314                 2.7458                 2.9941
 Frc consts  --      0.0740                 0.0748                 0.0861
 IR Inten    --      7.0843                 6.8916                11.2730
 RamAct Fr= 1--      2.8567                 2.9039                 0.0731
  Dep-P Fr= 1--      0.7500                 0.7495                 0.7340
  Dep-U Fr= 1--      0.8571                 0.8568                 0.8466
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.4081                 0.4147                 0.0103
 AlphaG Fr= 1--     -0.0000                -0.0001                -0.0000
 Gamma2 Fr= 1--     -1.2123                -1.2818                -0.0254
 Delta2 Fr= 1--     -0.1266                -0.1286                -0.0022
 Raman1 Fr= 1--      11.427                 11.616                  0.293
 ROA1   Fr= 1--    -120.435               -127.166                 -2.505
 CID1   Fr= 1--     -10.540                -10.948                 -8.564
 Raman2 Fr= 1--       4.897                  4.976                  0.124
 ROA2   Fr= 1--     -28.083                -29.734                 -0.591
 CID2   Fr= 1--      -5.734                 -5.975                 -4.772
 Raman3 Fr= 1--       9.794                  9.952                  0.248
 ROA3   Fr= 1--    -120.435               -127.166                 -2.505
 CID3   Fr= 1--     -12.296                -12.777                -10.116
 RC180  Fr= 1--       0.714                  0.714                  0.693
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.05   0.02     0.00   0.04  -0.03    -0.07  -0.02  -0.03
     2   6    -0.07  -0.07  -0.01    -0.05   0.00  -0.02     0.03   0.05  -0.04
     3   7    -0.05  -0.06   0.01    -0.07   0.12   0.08     0.12  -0.07  -0.04
     4  45    -0.01  -0.01  -0.01     0.01  -0.01   0.01    -0.00   0.00   0.06
     5   7    -0.07  -0.01  -0.01    -0.11   0.09   0.07     0.02  -0.13  -0.04
     6   7    -0.01   0.14  -0.06     0.08   0.05  -0.06     0.09   0.08  -0.03
     7   6    -0.01   0.03   0.02     0.10  -0.04   0.02     0.03  -0.04  -0.04
     8   6    -0.06   0.04   0.03     0.06  -0.01  -0.00    -0.08   0.00  -0.03
     9   7     0.03   0.10  -0.07     0.10   0.07  -0.03    -0.03   0.12  -0.04
    10   7     0.15  -0.02   0.07    -0.05  -0.07  -0.05    -0.07  -0.07  -0.01
    11   6     0.02  -0.00  -0.01     0.01  -0.10   0.02     0.03  -0.04  -0.04
    12   6     0.03  -0.08  -0.02    -0.01  -0.06  -0.01     0.02   0.06  -0.04
    13   7     0.13  -0.01   0.08    -0.09  -0.08  -0.03    -0.09   0.06  -0.02
    14   1    -0.17   0.10   0.04    -0.02   0.01  -0.02    -0.16   0.03  -0.03
    15   1    -0.04  -0.04   0.11     0.05  -0.04   0.01    -0.11  -0.07  -0.03
    16   1     0.08  -0.02   0.01     0.20  -0.07   0.03     0.10  -0.08  -0.05
    17   1    -0.06  -0.00   0.06     0.04  -0.08   0.08     0.01  -0.11  -0.04
    18   1    -0.01   0.13  -0.01     0.01  -0.19   0.04     0.05  -0.09  -0.04
    19   1    -0.05  -0.04  -0.07     0.07  -0.06   0.08     0.10  -0.05  -0.05
    20   1     0.04  -0.22  -0.02     0.01  -0.00  -0.03     0.02   0.11  -0.05
    21   1    -0.06  -0.04  -0.09     0.01  -0.06  -0.00     0.08   0.08  -0.05
    22   1    -0.10  -0.07  -0.03    -0.15  -0.09  -0.02     0.09   0.11  -0.04
    23   1    -0.04  -0.08  -0.04     0.04  -0.03  -0.10    -0.02   0.11  -0.03
    24   1    -0.07  -0.07   0.04     0.11   0.12  -0.03    -0.15  -0.08  -0.03
    25   1    -0.07  -0.02   0.05     0.01  -0.05  -0.10    -0.12   0.04  -0.02
    26   1    -0.07  -0.00   0.02    -0.15   0.11   0.24     0.02  -0.18  -0.19
    27   1    -0.07   0.01  -0.02    -0.23   0.18  -0.01     0.10  -0.23   0.03
    28   1    -0.05  -0.06   0.00    -0.07   0.17   0.25     0.16  -0.09  -0.19
    29   1    -0.04  -0.06   0.01    -0.12   0.27  -0.01     0.19  -0.18   0.04
    30   1     0.18   0.02   0.25    -0.12  -0.09  -0.15    -0.12   0.08  -0.12
    31   1     0.27   0.06  -0.01    -0.19  -0.10   0.03    -0.18   0.05   0.03
    32   1     0.20  -0.04   0.25    -0.07  -0.06  -0.13    -0.10  -0.10  -0.11
    33   1     0.32  -0.04  -0.03    -0.13  -0.04  -0.00    -0.16  -0.09   0.04
    34   1    -0.01   0.19  -0.21     0.08   0.07  -0.15     0.13   0.11  -0.17
    35   1     0.01   0.27   0.02     0.08   0.14  -0.01     0.14   0.20   0.04
    36   1     0.06   0.12  -0.20     0.12   0.10  -0.15    -0.03   0.17  -0.16
    37   1     0.11   0.19   0.00     0.15   0.17   0.03     0.02   0.23   0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    245.4806               301.0760               301.6480
 Red. masses --      4.3796                 1.9132                 1.9065
 Frc consts  --      0.1555                 0.1022                 0.1022
 IR Inten    --      0.0019                 1.2390                 1.2487
 RamAct Fr= 1--     18.1873                 0.4409                 0.4188
  Dep-P Fr= 1--      0.0994                 0.7484                 0.7399
  Dep-U Fr= 1--      0.1809                 0.8561                 0.8505
 Alpha2 Fr= 1--      0.3189                 0.0000                 0.0001
 Beta2  Fr= 1--      0.5483                 0.0629                 0.0594
 AlphaG Fr= 1--      0.0010                 0.0000                 0.0001
 Gamma2 Fr= 1--      4.7242                -0.8055                -0.7015
 Delta2 Fr= 1--      0.5894                -0.0096                -0.0115
 Raman1 Fr= 1--      72.749                  1.763                  1.675
 ROA1   Fr= 1--     472.379                -77.640                -67.710
 CID1   Fr= 1--       6.493                -44.027                -40.415
 Raman2 Fr= 1--       6.579                  0.755                  0.712
 ROA2   Fr= 1--     108.665                -19.256                -16.744
 CID2   Fr= 1--      16.517                -25.509                -23.501
 Raman3 Fr= 1--      13.158                  1.510                  1.425
 ROA3   Fr= 1--     472.379                -77.640                -67.710
 CID3   Fr= 1--      35.900                -51.426                -47.518
 RC180  Fr= 1--      -0.638                  0.712                  0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.15  -0.10   0.02     0.09   0.02  -0.08     0.01   0.01  -0.02
     2   6    -0.13  -0.12  -0.02     0.04   0.08   0.08    -0.00   0.01  -0.01
     3   7    -0.08  -0.08   0.05     0.03  -0.05  -0.05    -0.00  -0.02  -0.03
     4  45    -0.00   0.00  -0.00    -0.03  -0.02  -0.00    -0.02   0.03  -0.00
     5   7    -0.10  -0.06  -0.05    -0.04   0.04   0.06     0.02   0.00  -0.02
     6   7     0.10  -0.06  -0.05    -0.00   0.04  -0.05     0.01   0.04  -0.04
     7   6     0.16  -0.08   0.02     0.02  -0.03   0.02     0.06  -0.06   0.08
     8   6     0.17  -0.05  -0.02     0.04  -0.00  -0.04     0.08   0.01  -0.07
     9   7     0.11  -0.03   0.05     0.00  -0.01  -0.00    -0.04  -0.05   0.06
    10   7    -0.03   0.12   0.05     0.04  -0.01   0.05    -0.03  -0.01  -0.03
    11   6    -0.04   0.17  -0.02    -0.03   0.04  -0.04     0.04  -0.06   0.07
    12   6    -0.01   0.18   0.02     0.01   0.05   0.06    -0.02  -0.07  -0.06
    13   7     0.00   0.12  -0.05    -0.02   0.00  -0.01     0.05   0.02   0.06
    14   1     0.22  -0.11  -0.06     0.08  -0.06  -0.09     0.22  -0.14  -0.17
    15   1     0.14   0.01  -0.10     0.04   0.07  -0.09     0.07   0.19  -0.20
    16   1     0.23  -0.08   0.06     0.13  -0.04   0.06     0.25  -0.05   0.18
    17   1     0.09  -0.11   0.10    -0.05  -0.08   0.09    -0.07  -0.18   0.20
    18   1    -0.02   0.25  -0.06    -0.00   0.18  -0.10    -0.02  -0.21   0.16
    19   1    -0.08   0.12  -0.10    -0.13  -0.03  -0.13     0.16   0.01   0.17
    20   1    -0.05   0.24   0.06    -0.05   0.14   0.12     0.06  -0.22  -0.14
    21   1     0.05   0.13   0.10     0.12   0.03   0.13    -0.17  -0.02  -0.17
    22   1    -0.20  -0.13  -0.06     0.25   0.13   0.19     0.03   0.03  -0.00
    23   1    -0.06  -0.13  -0.09    -0.13   0.17   0.21    -0.02   0.01   0.02
    24   1    -0.18  -0.16   0.06     0.19   0.20  -0.19    -0.00   0.01  -0.03
    25   1    -0.14  -0.03   0.09     0.13  -0.17  -0.21     0.02   0.00  -0.02
    26   1    -0.10  -0.06  -0.05    -0.06   0.07   0.21     0.04   0.01  -0.07
    27   1    -0.07  -0.03  -0.05    -0.19   0.09  -0.02     0.03  -0.04   0.00
    28   1    -0.09  -0.09   0.04     0.06  -0.07  -0.19    -0.01  -0.05  -0.10
    29   1    -0.05  -0.06   0.05     0.03  -0.19   0.02     0.04  -0.08   0.00
    30   1     0.00   0.13  -0.04    -0.04   0.02  -0.05     0.09   0.03   0.21
    31   1     0.02   0.08  -0.05    -0.05  -0.06   0.01     0.17   0.10  -0.02
    32   1    -0.03   0.12   0.05     0.08  -0.02   0.19    -0.06  -0.03  -0.11
    33   1    -0.03   0.07   0.05     0.17  -0.04  -0.02    -0.11   0.06   0.02
    34   1     0.11  -0.06  -0.04    -0.01   0.07  -0.16     0.04   0.07  -0.15
    35   1     0.06  -0.05  -0.05     0.01   0.14   0.01    -0.03   0.16   0.02
    36   1     0.12  -0.04   0.05     0.02  -0.03   0.01    -0.06  -0.09   0.22
    37   1     0.07  -0.02   0.05    -0.03  -0.00  -0.01    -0.17  -0.15  -0.03
                     13                     14                     15
                      A                      A                      A
 Frequencies --    305.9809               327.5257               328.2693
 Red. masses --      1.7103                 3.6671                 3.6244
 Frc consts  --      0.0943                 0.2318                 0.2301
 IR Inten    --      0.0089                 9.2256                 9.2272
 RamAct Fr= 1--      2.8442                 3.6611                 3.6919
  Dep-P Fr= 1--      0.0388                 0.7496                 0.7491
  Dep-U Fr= 1--      0.0747                 0.8569                 0.8565
 Alpha2 Fr= 1--      0.0577                 0.0000                 0.0001
 Beta2  Fr= 1--      0.0354                 0.5229                 0.5270
 AlphaG Fr= 1--      0.1239                -0.0000                 0.0001
 Gamma2 Fr= 1--      0.9208                -1.1288                -1.0883
 Delta2 Fr= 1--     -0.1493                -0.0903                -0.0897
 Raman1 Fr= 1--      11.377                 14.644                 14.768
 ROA1   Fr= 1--      83.619               -111.249               -107.351
 CID1   Fr= 1--       7.350                 -7.597                 -7.269
 Raman2 Fr= 1--       0.425                  6.274                  6.324
 ROA2   Fr= 1--      23.294                -26.368                -25.402
 CID2   Fr= 1--      54.812                 -4.202                 -4.016
 Raman3 Fr= 1--       0.850                 12.549                 12.649
 ROA3   Fr= 1--      83.619               -111.249               -107.351
 CID3   Fr= 1--      98.380                 -8.865                 -8.487
 RC180  Fr= 1--      -0.851                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.06    -0.05  -0.06  -0.04    -0.05  -0.07  -0.06
     2   6     0.01  -0.02  -0.06    -0.04  -0.01   0.04    -0.10  -0.04   0.07
     3   7     0.00   0.07   0.02     0.01  -0.03   0.07    -0.06  -0.13  -0.00
     4  45     0.00   0.00   0.00     0.10  -0.04  -0.00     0.03   0.10   0.00
     5   7     0.07  -0.02  -0.02    -0.11  -0.03   0.03    -0.08   0.00  -0.06
     6   7    -0.02   0.06  -0.02    -0.07   0.10   0.04     0.06  -0.04   0.06
     7   6    -0.01  -0.02   0.06    -0.11   0.01   0.07     0.03  -0.01  -0.01
     8   6     0.01   0.03  -0.06    -0.09   0.07  -0.07    -0.02   0.01   0.00
     9   7    -0.06  -0.03   0.02    -0.13  -0.01  -0.03    -0.05   0.02   0.06
    10   7     0.06  -0.04   0.02    -0.05   0.10  -0.03     0.06  -0.06  -0.06
    11   6    -0.03  -0.00  -0.06     0.01   0.07   0.04    -0.01  -0.09  -0.06
    12   6     0.03   0.01   0.06    -0.02   0.03  -0.03     0.04  -0.10   0.07
    13   7    -0.05  -0.05  -0.02     0.02   0.00  -0.07    -0.04  -0.13   0.01
    14   1     0.11  -0.08  -0.14    -0.02  -0.03  -0.16     0.01   0.01   0.02
    15   1     0.02   0.16  -0.14    -0.05   0.20  -0.11    -0.05  -0.01  -0.03
    16   1     0.13  -0.02   0.14     0.01   0.04   0.16    -0.01   0.01  -0.01
    17   1    -0.10  -0.13   0.14    -0.17  -0.11   0.11     0.06  -0.02  -0.05
    18   1     0.02   0.14  -0.15    -0.01  -0.01   0.07     0.04  -0.00  -0.14
    19   1    -0.16  -0.06  -0.15     0.05   0.11   0.09    -0.14  -0.10  -0.08
    20   1    -0.05   0.14   0.15     0.03   0.01  -0.08    -0.03  -0.00   0.14
    21   1     0.17  -0.02   0.15    -0.09  -0.01  -0.01     0.16  -0.11   0.11
    22   1    -0.13  -0.06  -0.14     0.01  -0.03   0.09     0.03  -0.02   0.14
    23   1     0.13  -0.10  -0.14    -0.08   0.07   0.03    -0.19   0.04   0.12
    24   1    -0.09  -0.11   0.14    -0.00   0.02  -0.09    -0.03   0.03  -0.14
    25   1    -0.06   0.15   0.14    -0.04  -0.14  -0.10     0.04  -0.17  -0.07
    26   1     0.09  -0.04  -0.14    -0.20  -0.03   0.23    -0.07   0.03  -0.01
    27   1     0.18  -0.07   0.05    -0.25   0.10  -0.08    -0.14  -0.01  -0.08
    28   1    -0.01   0.10   0.14     0.04   0.00   0.10    -0.07  -0.20  -0.22
    29   1    -0.02   0.19  -0.05    -0.06  -0.01   0.04     0.01  -0.30   0.11
    30   1    -0.08  -0.07  -0.16     0.02  -0.05  -0.13    -0.09  -0.18  -0.19
    31   1    -0.16  -0.13   0.05    -0.05   0.03  -0.03    -0.20  -0.20   0.11
    32   1     0.09  -0.04   0.14    -0.11   0.16  -0.24     0.08  -0.05   0.01
    33   1     0.17  -0.08  -0.05    -0.23   0.09   0.07     0.11  -0.11  -0.09
    34   1    -0.02   0.10  -0.14    -0.07   0.14  -0.10     0.10  -0.10   0.21
    35   1    -0.03   0.18   0.05    -0.08   0.22   0.11    -0.00  -0.18  -0.03
    36   1    -0.08  -0.06   0.14    -0.16  -0.04   0.13    -0.12   0.01   0.19
    37   1    -0.15  -0.11  -0.05    -0.23  -0.11  -0.11    -0.08  -0.11  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    402.3837               406.8987               407.1900
 Red. masses --      3.7095                 4.8639                 4.8637
 Frc consts  --      0.3539                 0.4745                 0.4751
 IR Inten    --      0.1622                 3.1760                 3.0218
 RamAct Fr= 1--      0.0419                 5.3007                 5.3477
  Dep-P Fr= 1--      0.7497                 0.7499                 0.7499
  Dep-U Fr= 1--      0.8569                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0060                 0.7572                 0.7639
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--     -0.0168                -1.9408                -1.9214
 Delta2 Fr= 1--     -0.0023                -0.2489                -0.2472
 Raman1 Fr= 1--       0.168                 21.203                 21.391
 ROA1   Fr= 1--      -1.687               -194.282               -192.368
 CID1   Fr= 1--     -10.057                 -9.163                 -8.993
 Raman2 Fr= 1--       0.072                  9.087                  9.167
 ROA2   Fr= 1--      -0.385                -44.587                -44.137
 CID2   Fr= 1--      -5.358                 -4.907                 -4.815
 Raman3 Fr= 1--       0.144                 18.173                 18.333
 ROA3   Fr= 1--      -1.687               -194.282               -192.368
 CID3   Fr= 1--     -11.736                -10.691                -10.493
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.08  -0.03     0.04   0.10  -0.02    -0.05  -0.09   0.02
     2   6    -0.08   0.00  -0.03    -0.12  -0.02  -0.03     0.08   0.00   0.02
     3   7    -0.09  -0.04  -0.05    -0.18  -0.05  -0.13     0.10   0.03   0.08
     4  45    -0.00   0.01   0.09     0.08  -0.02   0.01     0.02   0.08  -0.01
     5   7     0.06   0.07  -0.05     0.09   0.13  -0.11    -0.08  -0.13   0.10
     6   7    -0.12   0.01  -0.07    -0.06  -0.00  -0.04    -0.19   0.01  -0.13
     7   6    -0.10  -0.02  -0.03    -0.04   0.01  -0.01    -0.13  -0.01  -0.03
     8   6     0.05  -0.08  -0.04    -0.01  -0.01  -0.00     0.08  -0.10  -0.03
     9   7     0.10  -0.08  -0.07     0.00   0.00  -0.00     0.15  -0.14  -0.14
    10   7     0.01   0.11  -0.06    -0.04  -0.17   0.12    -0.03  -0.11   0.08
    11   6     0.04   0.08  -0.03    -0.05  -0.11   0.02    -0.02  -0.07   0.02
    12   6     0.06  -0.07  -0.03    -0.07   0.11   0.03    -0.04   0.03   0.01
    13   7     0.04  -0.10  -0.07    -0.09   0.17   0.14    -0.03   0.06   0.05
    14   1     0.08  -0.13  -0.08    -0.01  -0.01  -0.01     0.07  -0.13  -0.07
    15   1     0.14   0.01   0.00     0.00  -0.00   0.00     0.22  -0.01   0.06
    16   1    -0.14  -0.04  -0.08    -0.05   0.00  -0.02    -0.14  -0.04  -0.06
    17   1    -0.09   0.10   0.00    -0.05   0.05   0.01    -0.15   0.14   0.06
    18   1     0.07   0.12  -0.07    -0.07  -0.11   0.06    -0.04  -0.09   0.04
    19   1    -0.07   0.11   0.00     0.08  -0.17  -0.06     0.06  -0.11  -0.03
    20   1     0.10  -0.10  -0.08    -0.10   0.10   0.06    -0.05   0.03   0.03
    21   1    -0.05  -0.13  -0.00     0.04   0.21  -0.06     0.01   0.07  -0.02
    22   1    -0.13   0.00  -0.07    -0.15  -0.00  -0.06     0.09  -0.02   0.04
    23   1    -0.05  -0.10  -0.00    -0.11  -0.17   0.06     0.06   0.10  -0.03
    24   1     0.03   0.13  -0.07     0.02   0.12  -0.06    -0.04  -0.12   0.05
    25   1     0.11   0.02  -0.01     0.16   0.05   0.05    -0.16  -0.05  -0.04
    26   1     0.11   0.06  -0.22     0.04   0.09  -0.09    -0.11  -0.14   0.14
    27   1     0.13  -0.06   0.04     0.12   0.17  -0.11    -0.14  -0.14   0.08
    28   1    -0.09  -0.10  -0.22    -0.19  -0.06  -0.16     0.06   0.00   0.06
    29   1     0.03  -0.15   0.04    -0.22  -0.11  -0.11     0.14   0.05   0.09
    30   1     0.01  -0.15  -0.24    -0.09   0.16   0.13    -0.02   0.00   0.02
    31   1    -0.11  -0.11   0.02    -0.11   0.24   0.13    -0.04   0.08   0.05
    32   1    -0.03   0.14  -0.23    -0.05  -0.12   0.09    -0.02  -0.15   0.12
    33   1    -0.14   0.07   0.02    -0.06  -0.24   0.13     0.01  -0.14   0.05
    34   1    -0.13   0.07  -0.24    -0.11   0.02  -0.08    -0.15  -0.01  -0.11
    35   1    -0.05   0.15   0.02    -0.06   0.04  -0.02    -0.27   0.01  -0.14
    36   1     0.15  -0.05  -0.24    -0.05   0.02   0.02     0.12  -0.13  -0.12
    37   1     0.14   0.07   0.02    -0.00  -0.02  -0.01     0.21  -0.19  -0.15
                     19                     20                     21
                      A                      A                      A
 Frequencies --    463.2633               463.6083               500.8848
 Red. masses --      4.0188                 4.0242                 4.1867
 Frc consts  --      0.5082                 0.5096                 0.6189
 IR Inten    --      7.3678                 7.2955                 0.0006
 RamAct Fr= 1--      4.9479                 5.0069                51.5258
  Dep-P Fr= 1--      0.7493                 0.7500                 0.0030
  Dep-U Fr= 1--      0.8567                 0.8571                 0.0061
 Alpha2 Fr= 1--      0.0001                 0.0000                 1.1369
 Beta2  Fr= 1--      0.7065                 0.7153                 0.0521
 AlphaG Fr= 1--      0.0000                 0.0000                 0.7545
 Gamma2 Fr= 1--      0.7706                 0.7890                -0.6830
 Delta2 Fr= 1--     -0.0780                -0.0776                 0.0126
 Raman1 Fr= 1--      19.792                 20.028                206.103
 ROA1   Fr= 1--      71.484                 73.264                -65.159
 CID1   Fr= 1--       3.612                  3.658                 -0.316
 Raman2 Fr= 1--       8.478                  8.583                  0.626
 ROA2   Fr= 1--      19.120                 19.558                -16.492
 CID2   Fr= 1--       2.255                  2.279                -26.362
 Raman3 Fr= 1--      16.956                 17.166                  1.251
 ROA3   Fr= 1--      71.484                 73.264                -65.159
 CID3   Fr= 1--       4.216                  4.268                -52.078
 RC180  Fr= 1--       0.713                  0.714                 -0.988
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.04     0.02   0.04   0.00     0.01   0.00   0.02
     2   6     0.04   0.01  -0.03    -0.03  -0.00  -0.01     0.01   0.00  -0.02
     3   7    -0.15   0.05  -0.20    -0.07   0.01  -0.06    -0.13   0.03  -0.15
     4  45     0.03   0.01   0.00    -0.01   0.03   0.00    -0.00  -0.00   0.00
     5   7     0.00  -0.17   0.20     0.01  -0.01   0.04    -0.01  -0.13   0.15
     6   7    -0.07  -0.06  -0.14     0.13   0.07   0.16     0.12   0.06   0.16
     7   6     0.04  -0.00  -0.02     0.00   0.01   0.03    -0.01   0.00   0.02
     8   6     0.00   0.01   0.03    -0.03   0.03  -0.02    -0.01   0.00  -0.02
     9   7    -0.04   0.13   0.15     0.01  -0.10  -0.14     0.04  -0.12  -0.15
    10   7    -0.02  -0.00   0.05    -0.12  -0.12   0.20     0.09   0.10  -0.15
    11   6     0.01   0.04   0.00    -0.00   0.02   0.04     0.00  -0.01  -0.02
    12   6     0.02  -0.02  -0.01    -0.01   0.03  -0.03     0.00  -0.01   0.02
    13   7     0.06  -0.05  -0.07     0.14  -0.07  -0.20    -0.11   0.07   0.15
    14   1     0.01   0.03   0.05    -0.08   0.05  -0.01    -0.05   0.01  -0.02
    15   1    -0.10  -0.04  -0.06     0.05   0.01   0.09     0.09  -0.00   0.09
    16   1     0.09  -0.02  -0.02     0.01   0.03   0.06    -0.05   0.02   0.02
    17   1    -0.03   0.04   0.08     0.05  -0.10  -0.06     0.07  -0.06  -0.09
    18   1     0.02   0.09  -0.02    -0.03   0.04   0.06     0.01  -0.05  -0.02
    19   1    -0.02   0.00  -0.05     0.09  -0.08  -0.09    -0.04   0.08   0.09
    20   1     0.05  -0.04  -0.04    -0.01   0.08  -0.04     0.00  -0.05   0.02
    21   1    -0.05  -0.06   0.01    -0.05  -0.08   0.11     0.02   0.08  -0.09
    22   1     0.07   0.05  -0.04    -0.06   0.00  -0.04     0.05   0.03  -0.02
    23   1    -0.03  -0.09   0.11    -0.01  -0.07   0.01    -0.05  -0.07   0.09
    24   1     0.05   0.01   0.06     0.04   0.08  -0.02     0.04   0.02   0.02
    25   1    -0.13   0.00  -0.10     0.02  -0.01  -0.04    -0.08  -0.02  -0.09
    26   1    -0.05  -0.26   0.13     0.03  -0.03  -0.04    -0.01  -0.16   0.05
    27   1     0.01  -0.24   0.23     0.05  -0.09   0.09     0.02  -0.19   0.19
    28   1    -0.24   0.03  -0.09    -0.11  -0.02  -0.10    -0.16   0.04  -0.05
    29   1    -0.24   0.10  -0.25    -0.04  -0.03  -0.03    -0.19   0.07  -0.19
    30   1     0.06  -0.10  -0.10     0.19  -0.15  -0.09    -0.14   0.09   0.05
    31   1     0.01  -0.05  -0.04     0.23  -0.10  -0.24    -0.18   0.08   0.19
    32   1    -0.04  -0.01  -0.04    -0.14  -0.22   0.13     0.11   0.13  -0.05
    33   1    -0.11  -0.04   0.10    -0.17  -0.16   0.23     0.15   0.13  -0.19
    34   1    -0.13  -0.07  -0.02     0.21   0.05   0.13     0.15   0.08   0.05
    35   1    -0.15  -0.14  -0.19     0.14   0.07   0.16     0.16   0.12   0.20
    36   1    -0.11   0.18   0.13     0.05  -0.15  -0.03     0.05  -0.16  -0.05
    37   1    -0.05   0.14   0.15     0.01  -0.21  -0.20     0.03  -0.19  -0.19
                     22                     23                     24
                      A                      A                      A
 Frequencies --    536.2913               536.4347               567.4495
 Red. masses --      1.6558                 1.6541                 1.9025
 Frc consts  --      0.2806                 0.2804                 0.3609
 IR Inten    --      2.4354                 2.4415                 1.9122
 RamAct Fr= 1--      0.2517                 0.2583                 0.0002
  Dep-P Fr= 1--      0.7497                 0.7079                 0.1361
  Dep-U Fr= 1--      0.8570                 0.8290                 0.2395
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0000
 Beta2  Fr= 1--      0.0359                 0.0357                 0.0000
 AlphaG Fr= 1--      0.0000                 0.0002                 0.0000
 Gamma2 Fr= 1--      0.5868                 0.5888                -0.0001
 Delta2 Fr= 1--      0.3764                 0.3761                -0.0000
 Raman1 Fr= 1--       1.007                  1.033                  0.001
 ROA1   Fr= 1--      68.378                 68.555                 -0.009
 CID1   Fr= 1--      67.922                 66.364                -10.009
 Raman2 Fr= 1--       0.431                  0.428                  0.000
 ROA2   Fr= 1--      11.071                 11.121                 -0.002
 CID2   Fr= 1--      25.666                 25.973                -18.242
 Raman3 Fr= 1--       0.863                  0.856                  0.000
 ROA3   Fr= 1--      68.378                 68.555                 -0.009
 CID3   Fr= 1--      79.259                 80.054                -41.787
 RC180  Fr= 1--       0.714                  0.658                 -0.521
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.03   0.01     0.02   0.09  -0.02    -0.01  -0.07   0.01
     2   6     0.04  -0.00   0.01    -0.08   0.01  -0.02     0.07  -0.01   0.01
     3   7     0.00   0.02  -0.02     0.02  -0.03   0.08    -0.03   0.02  -0.07
     4  45    -0.01  -0.00  -0.00     0.00  -0.01   0.00     0.00   0.00   0.04
     5   7    -0.00   0.02  -0.04     0.03  -0.03   0.07    -0.01   0.03  -0.07
     6   7     0.00  -0.03  -0.04    -0.02  -0.03  -0.07    -0.02  -0.02  -0.07
     7   6     0.06   0.02   0.01     0.06   0.03   0.02     0.06   0.02   0.01
     8   6    -0.02   0.05   0.02    -0.03   0.07   0.02    -0.03   0.06   0.01
     9   7    -0.00  -0.03  -0.06    -0.02  -0.02  -0.06    -0.00  -0.03  -0.07
    10   7    -0.04  -0.00   0.08     0.01   0.01  -0.03     0.03   0.02  -0.07
    11   6     0.06   0.08  -0.02    -0.01  -0.00   0.00    -0.04  -0.05   0.01
    12   6     0.07  -0.06  -0.02    -0.01   0.02   0.00    -0.05   0.04   0.01
    13   7    -0.04  -0.01   0.08     0.00   0.01   0.00     0.03  -0.01  -0.07
    14   1    -0.12   0.16   0.10    -0.14   0.20   0.12    -0.14   0.21   0.12
    15   1    -0.03  -0.11   0.11    -0.05  -0.12   0.12    -0.03  -0.14   0.13
    16   1     0.19   0.04   0.10     0.25   0.04   0.13     0.25   0.04   0.12
    17   1    -0.03  -0.09   0.09    -0.07  -0.12   0.13    -0.07  -0.12   0.13
    18   1     0.13   0.28  -0.16    -0.02  -0.05   0.03    -0.11  -0.23   0.12
    19   1    -0.16  -0.03  -0.16     0.03   0.02   0.03     0.14   0.04   0.13
    20   1     0.20  -0.24  -0.16    -0.03   0.03   0.02    -0.16   0.19   0.12
    21   1    -0.17  -0.01  -0.16     0.02   0.02   0.01     0.14  -0.01   0.13
    22   1     0.11   0.01   0.06    -0.29  -0.02  -0.15     0.25   0.02   0.12
    23   1    -0.03   0.05   0.05     0.10  -0.12  -0.15    -0.10   0.10   0.13
    24   1    -0.04  -0.12   0.06     0.10   0.27  -0.15    -0.09  -0.24   0.12
    25   1    -0.03   0.06   0.07     0.09  -0.12  -0.15    -0.07   0.13   0.13
    26   1    -0.03   0.04   0.09     0.02  -0.10  -0.12    -0.00   0.09   0.06
    27   1    -0.05   0.13  -0.11     0.11  -0.17   0.16    -0.08   0.10  -0.12
    28   1    -0.04   0.00   0.02     0.09  -0.07  -0.15    -0.08   0.03   0.06
    29   1    -0.01   0.04  -0.03     0.17  -0.17   0.19    -0.08   0.10  -0.12
    30   1    -0.11   0.02  -0.15     0.00  -0.02  -0.02     0.08  -0.04   0.06
    31   1    -0.24  -0.00   0.19    -0.02   0.02   0.01     0.13   0.01  -0.12
    32   1    -0.10  -0.05  -0.14     0.03  -0.00   0.06     0.06   0.06   0.06
    33   1    -0.22  -0.05   0.18     0.08   0.04  -0.07     0.13   0.02  -0.12
    34   1    -0.05  -0.04   0.06    -0.06  -0.08   0.14    -0.07  -0.05   0.06
    35   1    -0.03  -0.10  -0.09    -0.12  -0.19  -0.17    -0.05  -0.12  -0.12
    36   1    -0.02  -0.08   0.12     0.01  -0.09   0.09     0.02  -0.08   0.05
    37   1    -0.04  -0.19  -0.15    -0.06  -0.14  -0.13    -0.05  -0.12  -0.12
                     25                     26                     27
                      A                      A                      A
 Frequencies --    689.1541               689.9693               698.5177
 Red. masses --      1.2804                 1.2782                 1.4038
 Frc consts  --      0.3583                 0.3585                 0.4036
 IR Inten    --      1.4153                 1.3810                 1.3084
 RamAct Fr= 1--      0.9135                 0.9109                 0.0016
  Dep-P Fr= 1--      0.7497                 0.7500                 0.2930
  Dep-U Fr= 1--      0.8570                 0.8571                 0.4533
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1305                 0.1301                 0.0001
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0001
 Gamma2 Fr= 1--      4.2696                 4.2425                 0.0009
 Delta2 Fr= 1--      0.0327                 0.0292                 0.0002
 Raman1 Fr= 1--       3.654                  3.644                  0.006
 ROA1   Fr= 1--     410.932                408.215                  0.088
 CID1   Fr= 1--     112.461                112.037                 13.566
 Raman2 Fr= 1--       1.566                  1.562                  0.001
 ROA2   Fr= 1--     102.210                101.586                  0.019
 CID2   Fr= 1--      65.282                 65.057                 12.983
 Raman3 Fr= 1--       3.131                  3.123                  0.003
 ROA3   Fr= 1--     410.932                408.215                  0.088
 CID3   Fr= 1--     131.231                130.712                 29.929
 RC180  Fr= 1--       0.714                  0.714                 -0.093
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.01    -0.02   0.00  -0.01    -0.00   0.03  -0.01
     2   6     0.00   0.01  -0.01     0.00  -0.01  -0.00    -0.03   0.01  -0.01
     3   7    -0.03   0.03   0.01     0.03  -0.06  -0.02     0.01  -0.06  -0.01
     4  45     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.01
     5   7     0.03  -0.03  -0.02    -0.04   0.05   0.01     0.05  -0.03  -0.01
     6   7     0.02   0.03  -0.00     0.02   0.07  -0.02    -0.00   0.06  -0.01
     7   6    -0.01   0.01   0.01    -0.00   0.02  -0.00    -0.03  -0.02  -0.01
     8   6    -0.00  -0.01   0.01    -0.02  -0.01  -0.00     0.01  -0.03  -0.01
     9   7    -0.02  -0.02   0.02    -0.03  -0.06   0.02     0.05   0.04  -0.01
    10   7    -0.08  -0.00  -0.02    -0.01  -0.01   0.01    -0.06   0.02  -0.01
    11   6    -0.01   0.01   0.00     0.00   0.01   0.01     0.03   0.02  -0.01
    12   6     0.01   0.01  -0.00     0.00  -0.00   0.01     0.03  -0.02  -0.01
    13   7     0.07   0.02   0.02     0.00   0.01   0.01    -0.05  -0.03  -0.01
    14   1     0.06  -0.06  -0.03     0.08  -0.05  -0.01    -0.03  -0.06  -0.06
    15   1     0.00   0.07  -0.04    -0.00   0.06  -0.04     0.04  -0.00   0.01
    16   1     0.02  -0.02  -0.01     0.12  -0.01   0.03    -0.03  -0.06  -0.06
    17   1    -0.01  -0.00   0.00    -0.07  -0.07   0.05    -0.02   0.03   0.00
    18   1    -0.01  -0.12   0.02     0.02   0.03  -0.02     0.07   0.01  -0.06
    19   1     0.08   0.05   0.05    -0.03  -0.01  -0.02    -0.02   0.03   0.00
    20   1     0.04  -0.11  -0.02     0.03  -0.04  -0.02     0.07   0.01  -0.06
    21   1    -0.08   0.02  -0.05    -0.04   0.01  -0.02    -0.01  -0.04   0.00
    22   1    -0.03  -0.02   0.00     0.11   0.04   0.03    -0.04   0.05  -0.06
    23   1     0.02  -0.01  -0.01    -0.08   0.05   0.05    -0.02  -0.03   0.00
    24   1    -0.05  -0.08   0.03     0.05   0.06  -0.01    -0.04   0.06  -0.06
    25   1    -0.02   0.08   0.04     0.01  -0.05  -0.03     0.04   0.01   0.00
    26   1    -0.09  -0.05   0.23     0.10   0.07  -0.29    -0.12  -0.11   0.24
    27   1    -0.07   0.18  -0.14     0.07  -0.22   0.17    -0.04   0.20  -0.14
    28   1    -0.06  -0.04  -0.18     0.11   0.10   0.32     0.14   0.10   0.25
    29   1     0.12  -0.07   0.10    -0.21   0.15  -0.20    -0.19   0.09  -0.15
    30   1     0.01  -0.16  -0.36    -0.00  -0.03  -0.05    -0.03   0.17   0.25
    31   1    -0.29   0.05   0.22    -0.05  -0.00   0.04     0.20  -0.07  -0.14
    32   1     0.03  -0.16   0.37    -0.01   0.01   0.00     0.01  -0.17   0.24
    33   1     0.27   0.13  -0.23    -0.01   0.01   0.01     0.17   0.11  -0.14
    34   1     0.05  -0.02   0.14     0.14  -0.07   0.34     0.15  -0.06   0.24
    35   1    -0.07  -0.08  -0.08    -0.18  -0.22  -0.21    -0.15  -0.13  -0.14
    36   1     0.08  -0.02  -0.18     0.12  -0.05  -0.32    -0.16   0.07   0.26
    37   1     0.02   0.15   0.11     0.02   0.25   0.19     0.01  -0.21  -0.15
                     28                     29                     30
                      A                      A                      A
 Frequencies --    716.1516               771.0379               771.9750
 Red. masses --      1.3168                 1.4415                 1.4397
 Frc consts  --      0.3979                 0.5049                 0.5055
 IR Inten    --      0.0013                17.4278                17.5667
 RamAct Fr= 1--      2.1700                 0.8080                 0.7980
  Dep-P Fr= 1--      0.1243                 0.7500                 0.7494
  Dep-U Fr= 1--      0.2211                 0.8571                 0.8568
 Alpha2 Fr= 1--      0.0358                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0800                 0.1154                 0.1139
 AlphaG Fr= 1--     -0.3779                 0.0000                -0.0000
 Gamma2 Fr= 1--     -3.3237                -2.0023                -1.9679
 Delta2 Fr= 1--      0.4694                -0.0304                -0.0281
 Raman1 Fr= 1--       8.680                  3.232                  3.192
 ROA1   Fr= 1--    -304.053               -193.189               -189.821
 CID1   Fr= 1--     -35.030                -59.773                -59.471
 Raman2 Fr= 1--       0.960                  1.385                  1.367
 ROA2   Fr= 1--     -83.524                -47.811                -47.006
 CID2   Fr= 1--     -87.040                -34.516                -34.377
 Raman3 Fr= 1--       1.919                  2.770                  2.735
 ROA3   Fr= 1--    -304.053               -193.189               -189.821
 CID3   Fr= 1--    -158.426                -69.735                -69.412
 RC180  Fr= 1--      -0.558                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.00   0.00    -0.00  -0.03  -0.01     0.01  -0.03  -0.01
     2   6     0.00   0.02  -0.00     0.02  -0.01  -0.01     0.04  -0.01  -0.01
     3   7    -0.03   0.05   0.01    -0.03   0.04   0.01    -0.04   0.06   0.02
     4  45     0.00   0.00   0.00     0.02  -0.00   0.00    -0.00  -0.02   0.00
     5   7     0.04  -0.05  -0.01    -0.04   0.04   0.01    -0.05   0.05   0.01
     6   7     0.02   0.06  -0.01    -0.01  -0.03   0.00     0.02   0.08  -0.02
     7   6    -0.01   0.01   0.00     0.01   0.01  -0.00    -0.03  -0.02   0.01
     8   6    -0.02  -0.00  -0.00    -0.01   0.02  -0.01     0.00  -0.04   0.01
     9   7    -0.03  -0.05   0.01    -0.02  -0.03   0.01     0.04   0.07  -0.01
    10   7     0.06   0.00   0.01    -0.09  -0.00  -0.02     0.01   0.00  -0.00
    11   6     0.01  -0.01  -0.00     0.03   0.03   0.01    -0.00   0.00  -0.00
    12   6    -0.01  -0.01   0.00     0.04  -0.02   0.01    -0.01   0.01  -0.00
    13   7    -0.06  -0.01  -0.01    -0.09  -0.02  -0.02     0.01   0.01   0.01
    14   1     0.06  -0.05  -0.02     0.01   0.06   0.04    -0.01  -0.14  -0.11
    15   1     0.00   0.08  -0.04    -0.02  -0.02   0.00     0.05   0.07  -0.01
    16   1     0.08  -0.01   0.02     0.04   0.04   0.05    -0.09  -0.11  -0.11
    17   1    -0.06  -0.06   0.04    -0.01  -0.04   0.00     0.01   0.08  -0.01
    18   1     0.01   0.08  -0.02     0.14   0.06  -0.12    -0.02  -0.01   0.02
    19   1    -0.07  -0.04  -0.04    -0.09   0.01  -0.01     0.02   0.01   0.00
    20   1    -0.03   0.07   0.02     0.15  -0.03  -0.12    -0.02  -0.00   0.01
    21   1     0.08  -0.02   0.04    -0.08  -0.03  -0.01     0.01   0.01   0.00
    22   1    -0.08  -0.03  -0.02     0.08  -0.05   0.07     0.10  -0.07   0.09
    23   1     0.07  -0.04  -0.04    -0.03   0.05   0.01    -0.02   0.07   0.01
    24   1    -0.05  -0.07   0.02     0.03  -0.09   0.07     0.04  -0.12   0.09
    25   1    -0.02   0.08   0.04    -0.04   0.03   0.01    -0.05   0.05   0.01
    26   1    -0.10  -0.08   0.26     0.10   0.09  -0.21     0.12   0.11  -0.27
    27   1    -0.08   0.19  -0.16     0.03  -0.17   0.13     0.04  -0.22   0.15
    28   1    -0.10  -0.07  -0.26    -0.11  -0.06  -0.20    -0.14  -0.09  -0.27
    29   1     0.16  -0.13   0.16     0.15  -0.08   0.12     0.20  -0.10   0.16
    30   1    -0.02   0.12   0.26    -0.05   0.20   0.34     0.01  -0.03  -0.05
    31   1     0.20  -0.03  -0.16     0.26  -0.09  -0.20    -0.04   0.02   0.03
    32   1    -0.01   0.12  -0.25     0.01  -0.20   0.33     0.00   0.02  -0.04
    33   1    -0.18  -0.08   0.15     0.23   0.16  -0.20    -0.03  -0.02   0.02
    34   1     0.12  -0.05   0.26    -0.07   0.02  -0.13     0.18  -0.06   0.31
    35   1    -0.13  -0.17  -0.16     0.08   0.07   0.07    -0.20  -0.17  -0.19
    36   1     0.11  -0.05  -0.25     0.07  -0.04  -0.13    -0.17   0.09   0.31
    37   1     0.03   0.20   0.16    -0.01   0.11   0.08     0.02  -0.26  -0.18
                     31                     32                     33
                      A                      A                      A
 Frequencies --    866.4167               866.4630               868.8075
 Red. masses --      3.0280                 3.0075                 3.2052
 Frc consts  --      1.3392                 1.3303                 1.4254
 IR Inten    --     14.2994                14.2424                 0.0312
 RamAct Fr= 1--      0.8223                 0.8722                 7.8575
  Dep-P Fr= 1--      0.7406                 0.7290                 0.0276
  Dep-U Fr= 1--      0.8510                 0.8432                 0.0536
 Alpha2 Fr= 1--      0.0001                 0.0003                 0.1637
 Beta2  Fr= 1--      0.1166                 0.1226                 0.0702
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0119
 Gamma2 Fr= 1--      2.7845                 2.9543                -2.9351
 Delta2 Fr= 1--      1.7293                 1.7486                -1.8137
 Raman1 Fr= 1--       3.289                  3.489                 31.430
 ROA1   Fr= 1--     322.650                339.567               -339.813
 CID1   Fr= 1--      98.098                 97.325                -10.812
 Raman2 Fr= 1--       1.399                  1.471                  0.843
 ROA2   Fr= 1--      52.994                 56.915                -55.934
 CID2   Fr= 1--      37.866                 38.690                -66.366
 Raman3 Fr= 1--       2.799                  2.942                  1.686
 ROA3   Fr= 1--     322.650                339.567               -339.813
 CID3   Fr= 1--     115.274                115.418               -201.596
 RC180  Fr= 1--       0.702                  0.686                 -0.893
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02   0.07     0.04   0.16  -0.03    -0.03  -0.13   0.02
     2   6     0.04  -0.01   0.07     0.16  -0.00   0.01    -0.13   0.00  -0.00
     3   7     0.02   0.04  -0.04    -0.06  -0.09   0.06     0.05   0.07  -0.05
     4  45     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.08  -0.03  -0.06    -0.08  -0.03  -0.05     0.07   0.03   0.04
     6   7    -0.09   0.08   0.08     0.01  -0.02  -0.02    -0.09   0.07   0.07
     7   6     0.15   0.04  -0.01     0.06   0.03   0.08     0.14   0.04  -0.01
     8   6     0.07  -0.14  -0.04     0.04  -0.05   0.06     0.07  -0.13  -0.04
     9   7    -0.07   0.01  -0.04    -0.10   0.01  -0.07    -0.07   0.01  -0.03
    10   7    -0.05   0.12   0.08     0.00  -0.01   0.00     0.04  -0.10  -0.07
    11   6    -0.06  -0.12  -0.03     0.07   0.10  -0.07     0.07   0.12  -0.00
    12   6     0.11  -0.09  -0.06    -0.07   0.08  -0.05    -0.11   0.10   0.03
    13   7     0.00   0.04  -0.02    -0.02  -0.12   0.08    -0.01  -0.08   0.04
    14   1    -0.05  -0.00   0.06     0.06  -0.16  -0.05    -0.05   0.00   0.05
    15   1    -0.08  -0.37  -0.07     0.02   0.09  -0.04    -0.08  -0.35  -0.07
    16   1     0.08   0.07  -0.01    -0.13  -0.02  -0.08     0.07   0.08  -0.00
    17   1     0.12   0.18   0.08     0.18   0.28   0.03     0.11   0.17   0.07
    18   1    -0.11  -0.09   0.01    -0.03  -0.11   0.08     0.08   0.02   0.01
    19   1    -0.12  -0.04   0.07     0.38   0.12  -0.05     0.23   0.08  -0.07
    20   1    -0.02   0.07   0.07    -0.14   0.08   0.04    -0.03  -0.04  -0.04
    21   1     0.40  -0.02  -0.06    -0.03   0.00   0.06    -0.33   0.02   0.07
    22   1    -0.15  -0.00  -0.07     0.06  -0.05  -0.03    -0.05   0.04   0.02
    23   1     0.20  -0.19   0.01     0.20  -0.18   0.08    -0.16   0.15  -0.06
    24   1     0.02   0.16  -0.06    -0.04   0.03   0.04     0.03  -0.02  -0.03
    25   1     0.07  -0.14  -0.02    -0.15   0.29  -0.08     0.13  -0.24   0.06
    26   1    -0.02   0.01  -0.13    -0.15  -0.12  -0.11     0.12   0.10   0.10
    27   1     0.00  -0.02  -0.03    -0.05  -0.07  -0.03     0.03   0.06   0.01
    28   1    -0.06  -0.02  -0.08    -0.15  -0.12   0.14     0.12   0.09  -0.13
    29   1    -0.02  -0.02  -0.02    -0.08  -0.03   0.03     0.06   0.01  -0.02
    30   1    -0.04   0.18  -0.04    -0.00  -0.12   0.17     0.03  -0.18   0.09
    31   1    -0.02   0.07  -0.01     0.03  -0.05   0.04     0.03  -0.07   0.02
    32   1    -0.03   0.15   0.17     0.00  -0.15   0.00     0.02  -0.17  -0.13
    33   1     0.02   0.07   0.04    -0.00  -0.07   0.00    -0.01  -0.08  -0.03
    34   1    -0.16   0.08   0.16    -0.10   0.02  -0.05    -0.16   0.07   0.15
    35   1    -0.08   0.01   0.04    -0.04   0.01  -0.01    -0.07   0.00   0.04
    36   1    -0.18   0.08  -0.08    -0.06   0.00  -0.15    -0.16   0.08  -0.08
    37   1    -0.07   0.05  -0.02    -0.01   0.03  -0.03    -0.06   0.05  -0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --    868.9604               869.0746               878.0459
 Red. masses --      2.6494                 2.6150                 2.4581
 Frc consts  --      1.1787                 1.1637                 1.1165
 IR Inten    --      0.0504                 0.0109                 0.2974
 RamAct Fr= 1--      3.3555                 3.2712                 0.0013
  Dep-P Fr= 1--      0.6698                 0.7457                 0.4564
  Dep-U Fr= 1--      0.8023                 0.8543                 0.6268
 Alpha2 Fr= 1--      0.0048                 0.0002                 0.0000
 Beta2  Fr= 1--      0.4487                 0.4658                 0.0001
 AlphaG Fr= 1--      0.0004                 0.0000                -0.0000
 Gamma2 Fr= 1--     -0.5159                -0.2415                 0.0005
 Delta2 Fr= 1--     -0.9231                -0.8689                -0.0001
 Raman1 Fr= 1--      13.422                 13.085                  0.005
 ROA1   Fr= 1--     -79.062                -50.986                  0.042
 CID1   Fr= 1--      -5.891                 -3.897                  7.954
 Raman2 Fr= 1--       5.384                  5.589                  0.002
 ROA2   Fr= 1--      -4.996                  1.156                  0.013
 CID2   Fr= 1--      -0.928                  0.207                  7.709
 Raman3 Fr= 1--      10.768                 11.179                  0.003
 ROA3   Fr= 1--     -79.062                -50.986                  0.042
 CID3   Fr= 1--      -7.342                 -4.561                 12.690
 RC180  Fr= 1--       0.605                  0.709                  0.254
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.11  -0.00     0.01  -0.03   0.12     0.01  -0.01   0.09
     2   6     0.12  -0.00   0.03    -0.00  -0.02   0.11     0.00  -0.01   0.09
     3   7    -0.04  -0.04   0.04     0.06   0.09  -0.09     0.05   0.05  -0.08
     4  45    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.01
     5   7    -0.07  -0.04  -0.06    -0.09  -0.02  -0.08    -0.06  -0.03  -0.08
     6   7    -0.07   0.06   0.08     0.01   0.00  -0.01     0.06  -0.04  -0.08
     7   6     0.01  -0.02  -0.10    -0.09  -0.03  -0.06     0.00   0.01   0.09
     8   6    -0.00  -0.03  -0.11    -0.05   0.07  -0.03     0.01   0.01   0.09
     9   7     0.09   0.00   0.07     0.09  -0.02   0.07    -0.07   0.01  -0.08
    10   7     0.04  -0.09  -0.09    -0.02   0.02   0.02     0.02  -0.07  -0.08
    11   6     0.00   0.03   0.08     0.04   0.06  -0.08    -0.01   0.00   0.09
    12   6    -0.04   0.02   0.10    -0.03   0.05  -0.06    -0.01  -0.01   0.09
    13   7     0.02   0.06  -0.05    -0.01  -0.10   0.08     0.00   0.07  -0.08
    14   1    -0.10   0.21   0.11     0.01   0.10   0.03     0.05  -0.20  -0.11
    15   1    -0.08  -0.33  -0.00    -0.00   0.07   0.03     0.08   0.27   0.02
    16   1     0.19   0.09   0.10     0.12  -0.01   0.07    -0.18  -0.10  -0.11
    17   1    -0.14  -0.24  -0.00    -0.19  -0.28  -0.03     0.13   0.25   0.02
    18   1     0.13   0.13  -0.08    -0.07  -0.16   0.09     0.14   0.14  -0.11
    19   1    -0.18  -0.04  -0.01     0.35   0.11  -0.02    -0.27  -0.06   0.02
    20   1     0.14  -0.15  -0.10    -0.13   0.06   0.06     0.17  -0.10  -0.11
    21   1    -0.36   0.02   0.01     0.07   0.01   0.02    -0.28  -0.01   0.02
    22   1    -0.05  -0.05  -0.04    -0.24   0.03  -0.11    -0.20   0.05  -0.12
    23   1     0.23  -0.20   0.04     0.22  -0.22  -0.00     0.19  -0.21   0.02
    24   1    -0.06   0.03   0.01     0.04   0.24  -0.12     0.00   0.21  -0.12
    25   1    -0.08   0.19  -0.04     0.17  -0.32   0.01     0.15  -0.24   0.02
    26   1    -0.12  -0.08  -0.07     0.01   0.05  -0.13    -0.03   0.02  -0.05
    27   1    -0.07  -0.05  -0.06     0.02   0.01  -0.05    -0.03   0.03  -0.09
    28   1    -0.12  -0.09   0.03    -0.03   0.03  -0.14    -0.01   0.03  -0.05
    29   1    -0.07  -0.05   0.04    -0.00   0.00  -0.06    -0.03   0.03  -0.09
    30   1     0.04  -0.06  -0.10    -0.02  -0.07   0.10     0.03   0.02  -0.04
    31   1     0.00  -0.04  -0.02    -0.00  -0.05   0.07     0.04   0.00  -0.09
    32   1     0.04  -0.03  -0.11    -0.01  -0.10   0.07     0.03  -0.01  -0.05
    33   1     0.01  -0.02  -0.07     0.01  -0.06   0.00     0.04   0.00  -0.09
    34   1     0.02   0.03   0.12     0.12  -0.03   0.02     0.00  -0.03  -0.05
    35   1    -0.00   0.01   0.06     0.07  -0.03  -0.02    -0.02  -0.04  -0.09
    36   1    -0.02   0.04   0.13     0.10  -0.02   0.08    -0.03  -0.02  -0.05
    37   1    -0.02   0.01   0.04     0.06  -0.02   0.06    -0.02  -0.04  -0.09
                     37                     38                     39
                      A                      A                      A
 Frequencies --    980.6483               983.4730               983.5712
 Red. masses --      2.2217                 2.2430                 2.2466
 Frc consts  --      1.2588                 1.2782                 1.2805
 IR Inten    --     12.9008                 0.0167                 0.0172
 RamAct Fr= 1--      0.0110                 4.5955                 4.6022
  Dep-P Fr= 1--      0.7475                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8555                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0016                 0.6565                 0.6575
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--      0.0018                 0.8854                 0.8933
 Delta2 Fr= 1--     -0.0037                -1.5952                -1.5902
 Raman1 Fr= 1--       0.044                 18.382                 18.409
 ROA1   Fr= 1--       0.054                 33.952                 34.871
 CID1   Fr= 1--       1.230                  1.847                  1.894
 Raman2 Fr= 1--       0.019                  7.878                  7.889
 ROA2   Fr= 1--       0.073                 34.010                 34.161
 CID2   Fr= 1--       3.877                  4.317                  4.330
 Raman3 Fr= 1--       0.038                 15.756                 15.779
 ROA3   Fr= 1--       0.054                 33.952                 34.871
 CID3   Fr= 1--       1.438                  2.155                  2.210
 RC180  Fr= 1--       0.711                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.07   0.00     0.05   0.03  -0.00    -0.13  -0.10  -0.01
     2   6    -0.09  -0.07   0.00    -0.04  -0.03   0.01     0.13   0.10  -0.00
     3   7     0.04   0.03  -0.01     0.02   0.01  -0.01    -0.07  -0.04   0.02
     4  45     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   7    -0.04  -0.03  -0.01    -0.02  -0.02  -0.00     0.06   0.05   0.02
     6   7     0.05  -0.02  -0.01     0.05  -0.02  -0.02     0.05  -0.02  -0.01
     7   6    -0.11   0.05   0.00    -0.11   0.04   0.01    -0.11   0.05   0.00
     8   6     0.11  -0.05   0.00     0.12  -0.05   0.00     0.11  -0.05   0.01
     9   7    -0.05   0.02  -0.01    -0.05   0.03  -0.01    -0.05   0.02  -0.02
    10   7     0.01  -0.06  -0.02    -0.01   0.08   0.02     0.00  -0.02  -0.00
    11   6    -0.02   0.13   0.00     0.02  -0.16  -0.01    -0.01   0.04  -0.00
    12   6     0.02  -0.13   0.00    -0.02   0.16  -0.00     0.01  -0.03   0.01
    13   7    -0.01   0.06  -0.02     0.01  -0.08   0.02    -0.00   0.02  -0.01
    14   1    -0.00   0.13   0.15    -0.03   0.14   0.14    -0.00   0.10   0.13
    15   1     0.13  -0.19   0.12     0.14  -0.21   0.14     0.13  -0.18   0.12
    16   1     0.10   0.09   0.15     0.08   0.08   0.14     0.11   0.07   0.14
    17   1    -0.23  -0.05   0.12    -0.23  -0.03   0.12    -0.24  -0.04   0.13
    18   1    -0.12  -0.07   0.16     0.13   0.09  -0.18    -0.04  -0.05   0.04
    19   1     0.11   0.22   0.13    -0.13  -0.28  -0.17     0.04   0.07   0.05
    20   1    -0.13   0.04   0.16     0.15  -0.07  -0.18    -0.02  -0.01   0.04
    21   1     0.16  -0.19   0.13    -0.20   0.25  -0.17     0.03  -0.05   0.03
    22   1     0.11  -0.06   0.14     0.02  -0.03   0.06    -0.16   0.06  -0.19
    23   1    -0.22  -0.01   0.11    -0.09  -0.02   0.05     0.33   0.03  -0.18
    24   1     0.03  -0.12   0.14    -0.00  -0.07   0.06    -0.03   0.16  -0.19
    25   1     0.07   0.21   0.11     0.03   0.11   0.06    -0.12  -0.30  -0.18
    26   1    -0.11  -0.11  -0.04    -0.04  -0.04  -0.00     0.17   0.16   0.04
    27   1    -0.05  -0.08  -0.00    -0.05  -0.05  -0.01     0.10   0.12   0.01
    28   1     0.14   0.08  -0.04     0.07   0.04  -0.02    -0.19  -0.11   0.03
    29   1     0.09   0.03  -0.00     0.03   0.01  -0.00    -0.16  -0.07   0.01
    30   1    -0.04   0.17  -0.05     0.05  -0.21   0.03    -0.02   0.06  -0.02
    31   1    -0.05   0.10  -0.00     0.05  -0.16   0.01    -0.01   0.01  -0.00
    32   1     0.00  -0.18  -0.04    -0.00   0.22   0.03     0.00  -0.04   0.00
    33   1    -0.02  -0.11  -0.00     0.02   0.15   0.01     0.00  -0.06  -0.01
    34   1     0.16  -0.04  -0.04     0.17  -0.05  -0.03     0.15  -0.04  -0.02
    35   1     0.11  -0.01  -0.00     0.10  -0.01  -0.01     0.13  -0.03  -0.01
    36   1    -0.15   0.08  -0.04    -0.14   0.08  -0.02    -0.15   0.08  -0.03
    37   1    -0.08   0.07  -0.00    -0.12   0.07  -0.01    -0.08   0.06  -0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1001.4770              1001.5054              1006.7972
 Red. masses --      1.2593                 1.2586                 1.2611
 Frc consts  --      0.7442                 0.7438                 0.7532
 IR Inten    --      6.2414                 6.3425                 0.0080
 RamAct Fr= 1--      0.2014                 0.2080                 1.3199
  Dep-P Fr= 1--      0.7422                 0.7461                 0.0653
  Dep-U Fr= 1--      0.8520                 0.8546                 0.1225
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0251
 Beta2  Fr= 1--      0.0286                 0.0296                 0.0270
 AlphaG Fr= 1--      0.0002                 0.0001                 0.2177
 Gamma2 Fr= 1--      1.1587                 1.1699                -0.7296
 Delta2 Fr= 1--     -0.1734                -0.1805                -0.2059
 Raman1 Fr= 1--       0.806                  0.832                  5.280
 ROA1   Fr= 1--     105.689                106.539                -76.626
 CID1   Fr= 1--     131.165                128.023                -14.514
 Raman2 Fr= 1--       0.343                  0.356                  0.323
 ROA2   Fr= 1--      29.196                 29.522                -15.862
 CID2   Fr= 1--      85.057                 83.024                -49.037
 Raman3 Fr= 1--       0.687                  0.711                  0.647
 ROA3   Fr= 1--     105.689                106.539                -76.626
 CID3   Fr= 1--     153.950                149.808               -118.440
 RC180  Fr= 1--       0.704                  0.709                 -0.755
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.04   0.05    -0.00  -0.01   0.00     0.04  -0.03  -0.04
     2   6     0.02  -0.06  -0.05     0.01   0.01   0.01    -0.01   0.05   0.04
     3   7    -0.01   0.01   0.02    -0.00   0.00  -0.01     0.00  -0.01  -0.01
     4  45    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   7     0.00  -0.01  -0.02    -0.00   0.00  -0.01    -0.01   0.00   0.01
     6   7     0.00  -0.00   0.01     0.00   0.01  -0.01     0.00  -0.01   0.01
     7   6    -0.01   0.04  -0.03    -0.01  -0.06   0.04     0.00   0.05  -0.04
     8   6    -0.02  -0.03   0.02     0.04   0.04  -0.04    -0.03  -0.03   0.04
     9   7     0.00   0.01  -0.00    -0.00  -0.00   0.02     0.01   0.01  -0.01
    10   7    -0.00   0.00  -0.01    -0.01  -0.00  -0.01    -0.01   0.00  -0.01
    11   6     0.03  -0.02   0.03     0.06  -0.01   0.04     0.04  -0.01   0.03
    12   6    -0.03  -0.01  -0.02    -0.05  -0.03  -0.05    -0.04  -0.02  -0.04
    13   7     0.01  -0.00   0.00     0.00   0.00   0.02     0.01   0.00   0.01
    14   1     0.12  -0.10   0.00    -0.19   0.19   0.03     0.16  -0.16  -0.02
    15   1    -0.02   0.09  -0.06     0.03  -0.20   0.09    -0.02   0.16  -0.07
    16   1     0.17   0.01   0.03    -0.26   0.01  -0.01     0.23  -0.01   0.02
    17   1    -0.11  -0.08   0.05     0.14   0.10  -0.09    -0.13  -0.10   0.07
    18   1     0.05   0.16  -0.03     0.06   0.26  -0.01     0.05   0.21  -0.02
    19   1    -0.11  -0.08  -0.06    -0.14  -0.12  -0.10    -0.12  -0.09  -0.07
    20   1    -0.06   0.14  -0.00    -0.14   0.24   0.03    -0.10   0.19   0.02
    21   1     0.08  -0.04   0.06     0.19  -0.08   0.10     0.14  -0.06   0.07
    22   1     0.29   0.09   0.02    -0.02   0.01  -0.02    -0.22  -0.07  -0.02
    23   1    -0.20   0.08   0.11     0.03  -0.02   0.00     0.15  -0.06  -0.08
    24   1     0.16   0.26  -0.03    -0.01   0.01  -0.02    -0.12  -0.20   0.02
    25   1     0.02  -0.22  -0.11     0.01  -0.02   0.00    -0.02   0.16   0.08
    26   1    -0.15  -0.16  -0.04     0.00   0.01  -0.00     0.12   0.13   0.02
    27   1     0.24   0.23  -0.00    -0.01  -0.01  -0.00    -0.17  -0.16   0.01
    28   1    -0.20  -0.10   0.04     0.01   0.01  -0.00     0.16   0.08  -0.03
    29   1     0.28   0.17   0.00    -0.00   0.00  -0.00    -0.20  -0.12  -0.00
    30   1     0.04  -0.11   0.02     0.06  -0.19   0.03     0.05  -0.15   0.02
    31   1    -0.04   0.18  -0.00    -0.07   0.29   0.00    -0.05   0.21   0.00
    32   1    -0.00  -0.12  -0.02    -0.01  -0.20  -0.03    -0.01  -0.16  -0.02
    33   1    -0.00   0.17  -0.01    -0.01   0.30  -0.00    -0.01   0.22  -0.00
    34   1    -0.12   0.03   0.02     0.19  -0.04  -0.03    -0.17   0.03   0.02
    35   1     0.16  -0.05   0.00    -0.28   0.08  -0.00     0.22  -0.07   0.00
    36   1    -0.10   0.07  -0.02     0.16  -0.10   0.03    -0.14   0.10  -0.02
    37   1     0.16  -0.09   0.00    -0.25   0.13   0.00     0.20  -0.11  -0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1049.6630              1049.7303              1049.9257
 Red. masses --      3.1624                 3.1638                 3.1584
 Frc consts  --      2.0529                 2.0541                 2.0513
 IR Inten    --     31.9824                52.0744                55.1355
 RamAct Fr= 1--      1.9083                 1.2004                 1.0882
  Dep-P Fr= 1--      0.3641                 0.4476                 0.4730
  Dep-U Fr= 1--      0.5338                 0.6184                 0.6422
 Alpha2 Fr= 1--      0.0160                 0.0074                 0.0061
 Beta2  Fr= 1--      0.1698                 0.1237                 0.1165
 AlphaG Fr= 1--      0.0350                 0.0163                 0.0130
 Gamma2 Fr= 1--     -1.7835                -1.6490                -1.6346
 Delta2 Fr= 1--     -1.2099                -1.5494                -1.5955
 Raman1 Fr= 1--       7.633                  4.802                  4.353
 ROA1   Fr= 1--    -209.927               -207.887               -207.982
 CID1   Fr= 1--     -27.502                -43.294                -47.783
 Raman2 Fr= 1--       2.037                  1.485                  1.398
 ROA2   Fr= 1--     -33.124                -27.182                -26.467
 CID2   Fr= 1--     -16.257                -18.307                -18.937
 Raman3 Fr= 1--       4.075                  2.970                  2.795
 ROA3   Fr= 1--    -209.927               -207.887               -207.982
 CID3   Fr= 1--     -51.516                -70.007                -74.405
 RC180  Fr= 1--       0.068                  0.237                  0.284
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.01     0.03  -0.01   0.03     0.18  -0.07   0.18
     2   6     0.00  -0.01   0.01    -0.00   0.03  -0.03    -0.02   0.19  -0.18
     3   7     0.01   0.01  -0.01    -0.02  -0.01   0.01    -0.11  -0.07   0.07
     4  45     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   7     0.01   0.00   0.00    -0.02  -0.01  -0.01    -0.10  -0.09  -0.07
     6   7    -0.03   0.01   0.02     0.12  -0.04  -0.07    -0.02   0.01   0.01
     7   6     0.01  -0.04  -0.04    -0.03   0.18   0.17     0.00  -0.03  -0.03
     8   6     0.04   0.02   0.04    -0.15  -0.11  -0.18     0.03   0.02   0.03
     9   7    -0.03   0.01  -0.02     0.12  -0.06   0.07    -0.02   0.01  -0.01
    10   7     0.01  -0.13  -0.07     0.00  -0.03  -0.02    -0.00  -0.01  -0.00
    11   6    -0.17   0.08   0.18    -0.04   0.02   0.04    -0.01   0.00   0.01
    12   6     0.14   0.12  -0.18     0.04   0.03  -0.04     0.01   0.00  -0.00
    13   7     0.02  -0.13   0.07     0.01  -0.03   0.02     0.00  -0.00   0.00
    14   1     0.08   0.02   0.06    -0.27  -0.09  -0.20     0.05   0.02   0.04
    15   1     0.07   0.07   0.05    -0.29  -0.29  -0.21     0.04   0.04   0.04
    16   1     0.03  -0.05  -0.04    -0.13   0.26   0.20     0.01  -0.03  -0.03
    17   1    -0.00  -0.11  -0.05     0.00   0.41   0.21     0.00  -0.07  -0.04
    18   1    -0.22   0.19   0.20    -0.06   0.05   0.06     0.00  -0.00  -0.00
    19   1    -0.40   0.11   0.21    -0.09   0.03   0.05    -0.02   0.00   0.01
    20   1     0.16   0.24  -0.20     0.04   0.05  -0.04     0.01   0.02  -0.01
    21   1     0.36   0.20  -0.21     0.09   0.05  -0.06     0.00   0.00  -0.01
    22   1    -0.00  -0.01   0.01     0.01   0.06  -0.04     0.06   0.29  -0.21
    23   1     0.01  -0.04   0.02    -0.02   0.06  -0.03    -0.11   0.41  -0.22
    24   1    -0.03   0.00  -0.02     0.03  -0.00   0.02     0.30  -0.02   0.21
    25   1    -0.02   0.02  -0.01     0.06  -0.04   0.03     0.36  -0.21   0.22
    26   1    -0.00  -0.01   0.00     0.02   0.02  -0.01     0.11   0.13  -0.07
    27   1    -0.01  -0.00   0.00    -0.02  -0.01  -0.01    -0.04  -0.00  -0.08
    28   1    -0.01  -0.01  -0.00     0.02   0.01   0.01     0.15   0.07   0.07
    29   1     0.01   0.00  -0.00     0.01   0.00   0.01    -0.02  -0.04   0.08
    30   1    -0.05   0.16   0.06    -0.01   0.05   0.02    -0.00   0.00   0.00
    31   1    -0.02  -0.04   0.08    -0.01  -0.02   0.03    -0.01   0.01   0.00
    32   1     0.01   0.17  -0.06     0.00   0.04  -0.02    -0.00   0.01  -0.00
    33   1     0.03  -0.04  -0.08     0.01   0.00  -0.02     0.00  -0.02  -0.01
    34   1     0.04  -0.01   0.01    -0.16   0.03  -0.06     0.03  -0.01   0.01
    35   1    -0.02   0.01   0.02     0.02  -0.04  -0.08    -0.02   0.01   0.02
    36   1     0.03  -0.02  -0.02    -0.14   0.09   0.06     0.02  -0.01  -0.01
    37   1     0.00  -0.00  -0.01     0.05   0.01   0.08     0.00  -0.01  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1114.3346              1114.5642              1123.4124
 Red. masses --      1.0233                 1.0232                 1.0327
 Frc consts  --      0.7487                 0.7489                 0.7679
 IR Inten    --      1.3660                 1.4127                 0.2303
 RamAct Fr= 1--      0.8511                 0.8215                 0.0005
  Dep-P Fr= 1--      0.7500                 0.7499                 0.6947
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8198
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1216                 0.1174                 0.0001
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--      1.0394                 1.0368                -0.0000
 Delta2 Fr= 1--      0.3143                 0.3031                 0.0001
 Raman1 Fr= 1--       3.404                  3.286                  0.002
 ROA1   Fr= 1--     109.843                109.231                 -0.002
 CID1   Fr= 1--      32.266                 33.239                 -1.231
 Raman2 Fr= 1--       1.459                  1.408                  0.001
 ROA2   Fr= 1--      22.432                 22.458                 -0.002
 CID2   Fr= 1--      15.376                 15.948                 -2.205
 Raman3 Fr= 1--       2.918                  2.816                  0.002
 ROA3   Fr= 1--     109.843                109.231                 -0.002
 CID3   Fr= 1--      37.645                 38.783                 -1.501
 RC180  Fr= 1--       0.714                  0.714                  0.640
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.01   0.01  -0.00
     2   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01  -0.00  -0.00
     3   7     0.01   0.01  -0.01     0.00   0.01  -0.00     0.00  -0.01   0.01
     4  45    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   7    -0.01  -0.00  -0.00    -0.01  -0.01  -0.01     0.01  -0.00   0.01
     6   7     0.01  -0.00  -0.00    -0.01   0.01   0.01    -0.00   0.01   0.01
     7   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01   0.00  -0.00
     8   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.00
     9   7    -0.00  -0.00   0.00     0.02  -0.00   0.01     0.01   0.01   0.01
    10   7    -0.01   0.01   0.01     0.00  -0.01  -0.00    -0.01   0.00   0.01
    11   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.01  -0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.01  -0.00
    13   7    -0.00  -0.02   0.01     0.00   0.00   0.00    -0.01  -0.01   0.01
    14   1     0.06   0.03   0.05    -0.24  -0.08  -0.18    -0.19  -0.06  -0.14
    15   1    -0.03  -0.01  -0.03     0.13   0.03   0.12     0.09  -0.00   0.09
    16   1    -0.04   0.06   0.05     0.11  -0.23  -0.19     0.09  -0.18  -0.14
    17   1     0.02  -0.03  -0.03    -0.07   0.12   0.12    -0.07   0.06   0.09
    18   1     0.20  -0.17  -0.19    -0.05   0.05   0.05     0.14  -0.13  -0.13
    19   1    -0.09   0.10   0.12     0.02  -0.03  -0.04    -0.04   0.08   0.08
    20   1     0.15   0.22  -0.19    -0.05  -0.05   0.05     0.10   0.16  -0.13
    21   1    -0.07  -0.12   0.12     0.02   0.03  -0.03    -0.02  -0.09   0.09
    22   1    -0.04  -0.19   0.13    -0.03  -0.19   0.14     0.04   0.19  -0.14
    23   1     0.03   0.10  -0.09     0.02   0.09  -0.09    -0.05  -0.08   0.09
    24   1     0.19  -0.02   0.14     0.19  -0.01   0.13    -0.20   0.01  -0.14
    25   1    -0.10   0.00  -0.09    -0.10  -0.01  -0.09     0.09   0.03   0.09
    26   1    -0.08  -0.09  -0.06    -0.07  -0.08  -0.06     0.10   0.11   0.07
    27   1     0.21   0.17   0.02     0.22   0.18   0.02    -0.20  -0.16  -0.02
    28   1     0.10   0.05  -0.06     0.11   0.05  -0.06    -0.14  -0.07   0.07
    29   1    -0.23  -0.16   0.02    -0.22  -0.15   0.02     0.20   0.15  -0.02
    30   1     0.05  -0.15   0.08    -0.02   0.05  -0.02     0.04  -0.14   0.07
    31   1    -0.06   0.38  -0.03     0.02  -0.10   0.01    -0.04   0.25  -0.02
    32   1     0.01   0.16   0.08    -0.00  -0.04  -0.02     0.01   0.15   0.07
    33   1     0.03  -0.38  -0.03    -0.01   0.12   0.01     0.03  -0.25  -0.02
    34   1     0.03  -0.00  -0.02    -0.16   0.03   0.08    -0.15   0.04   0.07
    35   1    -0.10   0.04   0.00     0.35  -0.13  -0.03     0.24  -0.09  -0.02
    36   1    -0.04   0.03  -0.02     0.13  -0.09   0.08     0.13  -0.08   0.07
    37   1     0.08  -0.04   0.01    -0.34   0.16  -0.03    -0.24   0.11  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1171.3853              1171.8478              1187.6953
 Red. masses --      1.0739                 1.0737                 1.0527
 Frc consts  --      0.8682                 0.8687                 0.8749
 IR Inten    --     69.9888                70.5754                 0.0119
 RamAct Fr= 1--      8.1247                 8.0682                11.2970
  Dep-P Fr= 1--      0.7500                 0.7498                 0.3563
  Dep-U Fr= 1--      0.8571                 0.8570                 0.5254
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0972
 Beta2  Fr= 1--      1.1607                 1.1525                 0.9893
 AlphaG Fr= 1--      0.0000                 0.0001                 0.3051
 Gamma2 Fr= 1--     -3.1136                -3.0391                -2.3431
 Delta2 Fr= 1--      2.9455                 2.9699                -5.8933
 Raman1 Fr= 1--      32.499                 32.273                 45.188
 ROA1   Fr= 1--    -204.648               -196.719               -413.523
 CID1   Fr= 1--      -6.297                 -6.095                 -9.151
 Raman2 Fr= 1--      13.928                 13.830                 11.872
 ROA2   Fr= 1--     -98.290                -96.698                 -9.089
 CID2   Fr= 1--      -7.057                 -6.992                 -0.766
 Raman3 Fr= 1--      27.856                 27.659                 23.743
 ROA3   Fr= 1--    -204.648               -196.719               -413.523
 CID3   Fr= 1--      -7.347                 -7.112                -17.416
 RC180  Fr= 1--       0.714                  0.714                  0.051
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.01
     2   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.01
     3   7    -0.00   0.00   0.00    -0.04  -0.01  -0.00     0.02   0.00  -0.00
     4  45    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.00  -0.00   0.00    -0.02  -0.04   0.00     0.01   0.02   0.00
     6   7     0.03   0.00   0.00    -0.02  -0.00  -0.00    -0.02  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.01
     8   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.01
     9   7     0.02  -0.02  -0.00    -0.01   0.02   0.00    -0.01   0.02  -0.00
    10   7    -0.01  -0.04   0.00    -0.01  -0.02   0.00    -0.01  -0.02  -0.00
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.01
    12   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.01
    13   7     0.02  -0.03  -0.00     0.01  -0.01   0.00     0.01  -0.02   0.00
    14   1    -0.01  -0.00  -0.00     0.02  -0.00   0.01     0.03  -0.00   0.01
    15   1     0.19   0.07   0.17    -0.15  -0.07  -0.12    -0.18  -0.05  -0.17
    16   1    -0.02   0.02   0.01     0.00  -0.00  -0.00     0.02  -0.02  -0.01
    17   1     0.08  -0.21  -0.17    -0.06   0.13   0.12    -0.09   0.17   0.17
    18   1    -0.01   0.02   0.01    -0.00  -0.00  -0.00    -0.01   0.02   0.01
    19   1     0.19  -0.15  -0.19     0.08  -0.07  -0.09     0.14  -0.13  -0.17
    20   1     0.01   0.01  -0.01     0.01   0.02  -0.01     0.01   0.03  -0.01
    21   1    -0.14  -0.19   0.19    -0.08  -0.09   0.09    -0.10  -0.16   0.16
    22   1     0.01   0.01  -0.01     0.01   0.02  -0.01    -0.01  -0.02   0.01
    23   1     0.00  -0.03   0.02    -0.04  -0.26   0.21     0.05   0.19  -0.17
    24   1    -0.01  -0.00  -0.00     0.02   0.00   0.01    -0.03  -0.01  -0.01
    25   1    -0.01  -0.01  -0.02    -0.26   0.03  -0.21     0.20  -0.01   0.17
    26   1     0.03   0.02  -0.01     0.29   0.27  -0.01    -0.20  -0.20  -0.01
    27   1     0.00   0.01  -0.00     0.11   0.21  -0.04    -0.07  -0.14   0.03
    28   1     0.03   0.01  -0.01     0.34   0.21   0.01    -0.24  -0.14   0.01
    29   1     0.03   0.01   0.00     0.23   0.05   0.04    -0.15  -0.03  -0.03
    30   1    -0.08   0.35   0.01    -0.04   0.17  -0.01    -0.07   0.26  -0.01
    31   1    -0.11   0.18   0.04    -0.06   0.10   0.02    -0.08   0.12   0.03
    32   1    -0.01   0.36  -0.00    -0.01   0.18  -0.01    -0.00   0.27   0.01
    33   1     0.06   0.21  -0.04     0.03   0.09  -0.02     0.05   0.14  -0.03
    34   1    -0.31   0.09  -0.00     0.22  -0.07   0.01     0.27  -0.08  -0.01
    35   1    -0.20  -0.00  -0.04     0.13   0.01   0.02     0.15   0.01   0.03
    36   1    -0.29   0.15   0.01     0.20  -0.11   0.00     0.23  -0.13   0.01
    37   1    -0.13   0.14   0.03     0.10  -0.10  -0.02     0.10  -0.11  -0.03
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1222.9506              1223.6111              1247.0553
 Red. masses --      1.2501                 1.2490                 1.2494
 Frc consts  --      1.1015                 1.1018                 1.1447
 IR Inten    --     10.8961                11.2000                13.2719
 RamAct Fr= 1--      7.3757                 7.3110                 0.0026
  Dep-P Fr= 1--      0.7499                 0.7500                 0.7459
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8544
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      1.0536                 1.0444                 0.0004
 AlphaG Fr= 1--      0.0001                 0.0000                -0.0000
 Gamma2 Fr= 1--      4.9466                 5.0071                -0.0000
 Delta2 Fr= 1--      0.0193                 0.0594                -0.0005
 Raman1 Fr= 1--      29.503                 29.244                  0.010
 ROA1   Fr= 1--     475.490                482.581                 -0.018
 CID1   Fr= 1--      16.117                 16.502                 -1.712
 Raman2 Fr= 1--      12.643                 12.533                  0.004
 ROA2   Fr= 1--     118.564                119.695                  0.004
 CID2   Fr= 1--       9.378                  9.550                  0.846
 Raman3 Fr= 1--      25.287                 25.066                  0.009
 ROA3   Fr= 1--     475.490                482.581                 -0.018
 CID3   Fr= 1--      18.804                 19.252                 -2.003
 RC180  Fr= 1--       0.714                  0.714                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.01    -0.02  -0.04   0.01     0.02   0.03  -0.00
     2   6     0.00  -0.01  -0.01     0.04   0.01   0.01    -0.03  -0.01  -0.00
     3   7     0.00   0.00   0.01    -0.06  -0.01  -0.01     0.05   0.00   0.00
     4  45    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     5   7     0.00  -0.00  -0.00     0.02   0.06  -0.02    -0.02  -0.05   0.00
     6   7    -0.06  -0.01  -0.01     0.03   0.00   0.01     0.05   0.01   0.00
     7   6     0.04   0.00   0.01    -0.02   0.01  -0.01    -0.03  -0.00  -0.00
     8   6    -0.03   0.02   0.01     0.01  -0.02   0.00     0.02  -0.02  -0.00
     9   7     0.04  -0.04  -0.02    -0.02   0.03   0.00    -0.03   0.04   0.00
    10   7    -0.02  -0.05   0.01    -0.01  -0.03   0.01    -0.02  -0.04   0.00
    11   6     0.01   0.04  -0.00     0.00   0.02  -0.01     0.01   0.03  -0.00
    12   6     0.01  -0.03  -0.01     0.02  -0.02   0.00     0.02  -0.03  -0.00
    13   7    -0.03   0.04   0.02    -0.02   0.03   0.00    -0.03   0.04   0.00
    14   1     0.04  -0.00   0.01    -0.02  -0.01  -0.00     0.03  -0.00   0.03
    15   1     0.05   0.10   0.06    -0.04  -0.03  -0.05    -0.07  -0.09  -0.07
    16   1    -0.02   0.04   0.01     0.02  -0.01  -0.00    -0.02   0.01   0.02
    17   1     0.02   0.10   0.07    -0.03  -0.06  -0.01    -0.02  -0.11  -0.06
    18   1     0.03  -0.03  -0.01     0.01  -0.03  -0.00    -0.01   0.03   0.02
    19   1     0.09  -0.01  -0.07     0.07   0.02  -0.02     0.11  -0.02  -0.06
    20   1     0.01   0.04  -0.01     0.02   0.02  -0.01    -0.00  -0.03   0.03
    21   1     0.11   0.02  -0.05     0.05   0.03  -0.06     0.11   0.04  -0.06
    22   1     0.01  -0.00   0.00    -0.02  -0.05   0.01    -0.02  -0.02   0.02
    23   1    -0.03   0.00   0.02     0.06  -0.10   0.07    -0.04   0.11  -0.07
    24   1    -0.01   0.01  -0.00     0.05   0.01   0.01     0.02   0.01   0.02
    25   1    -0.01  -0.02  -0.02     0.08  -0.09   0.07    -0.09   0.07  -0.07
    26   1     0.02   0.02   0.03    -0.37  -0.34  -0.00     0.25   0.23   0.02
    27   1    -0.01   0.00  -0.01    -0.06  -0.20   0.06     0.06   0.17  -0.05
    28   1    -0.02  -0.02  -0.03     0.42   0.27  -0.01    -0.29  -0.18   0.02
    29   1    -0.02  -0.01   0.00     0.21   0.00   0.06    -0.18  -0.01  -0.05
    30   1     0.09  -0.42  -0.01     0.06  -0.27   0.03     0.07  -0.32   0.02
    31   1     0.12  -0.14  -0.05     0.08  -0.08  -0.04     0.11  -0.13  -0.05
    32   1    -0.02   0.42   0.02    -0.02   0.28  -0.02    -0.01   0.33   0.02
    33   1     0.09   0.15  -0.05     0.05   0.11  -0.03     0.07   0.16  -0.05
    34   1     0.42  -0.13  -0.02    -0.22   0.07  -0.02    -0.31   0.10   0.02
    35   1     0.18   0.05   0.06    -0.11  -0.02  -0.02    -0.17  -0.03  -0.05
    36   1    -0.40   0.21   0.01     0.21  -0.11   0.03     0.29  -0.16   0.02
    37   1    -0.10   0.16   0.05     0.04  -0.08  -0.03     0.10  -0.14  -0.05
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1291.4991              1291.9223              1299.8811
 Red. masses --      1.3917                 1.3912                 1.3676
 Frc consts  --      1.3677                 1.3681                 1.3615
 IR Inten    --      0.9562                 0.9315                 0.0001
 RamAct Fr= 1--      0.6284                 0.6243                 9.5824
  Dep-P Fr= 1--      0.7490                 0.7499                 0.2341
  Dep-U Fr= 1--      0.8565                 0.8571                 0.3794
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.1187
 Beta2  Fr= 1--      0.0897                 0.0892                 0.6060
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0049
 Gamma2 Fr= 1--      0.1052                 0.0972                -2.0415
 Delta2 Fr= 1--     -0.0440                -0.0443                 0.3190
 Raman1 Fr= 1--       2.514                  2.497                 38.330
 ROA1   Fr= 1--       8.687                  7.914               -185.780
 CID1   Fr= 1--       3.456                  3.169                 -4.847
 Raman2 Fr= 1--       1.076                  1.070                  7.272
 ROA2   Fr= 1--       2.876                  2.688                -51.549
 CID2   Fr= 1--       2.672                  2.511                 -7.089
 Raman3 Fr= 1--       2.153                  2.140                 14.543
 ROA3   Fr= 1--       8.687                  7.914               -185.780
 CID3   Fr= 1--       4.035                  3.698                -12.774
 RC180  Fr= 1--       0.713                  0.714                 -0.241
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.02     0.04  -0.05  -0.07    -0.03   0.04   0.05
     2   6    -0.01   0.02   0.02    -0.03   0.05   0.07     0.03  -0.04  -0.05
     3   7     0.01  -0.01  -0.01    -0.00  -0.03  -0.02    -0.00   0.02   0.01
     4  45    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.01  -0.00   0.01    -0.03   0.01   0.02     0.02  -0.01  -0.01
     6   7     0.00  -0.02   0.01    -0.01   0.03  -0.01    -0.00   0.02  -0.01
     7   6     0.01   0.04  -0.05    -0.01  -0.05   0.06    -0.02  -0.05   0.05
     8   6    -0.02  -0.04   0.05     0.02   0.05  -0.06     0.02   0.05  -0.05
     9   7     0.02   0.01  -0.01    -0.02  -0.02   0.01    -0.02  -0.01   0.01
    10   7     0.03  -0.01   0.02     0.00  -0.01   0.00     0.02  -0.01   0.01
    11   6    -0.06  -0.00  -0.07    -0.01   0.00  -0.01    -0.05  -0.00  -0.05
    12   6     0.06   0.01   0.07     0.01   0.00   0.01     0.05   0.01   0.05
    13   7    -0.03  -0.02  -0.02    -0.01   0.00  -0.00    -0.02  -0.01  -0.01
    14   1    -0.04  -0.17  -0.10     0.04   0.21   0.12     0.08   0.20   0.13
    15   1    -0.02   0.07  -0.02     0.03  -0.07   0.02    -0.02  -0.08  -0.02
    16   1     0.10   0.15   0.10    -0.11  -0.18  -0.12    -0.08  -0.19  -0.13
    17   1    -0.06  -0.02   0.02     0.07   0.04  -0.02     0.04   0.07   0.02
    18   1    -0.26  -0.08   0.15    -0.05  -0.01   0.03    -0.20  -0.03   0.13
    19   1     0.07   0.08   0.03     0.03   0.02   0.00     0.08   0.02  -0.01
    20   1     0.27  -0.01  -0.16     0.05  -0.01  -0.03     0.21   0.02  -0.13
    21   1    -0.09   0.06  -0.03    -0.00   0.01  -0.01    -0.08   0.00   0.01
    22   1    -0.07   0.06  -0.05    -0.19   0.18  -0.15     0.13  -0.16   0.13
    23   1     0.03   0.00  -0.01     0.10  -0.02  -0.03    -0.06   0.06  -0.01
    24   1     0.05  -0.08   0.05     0.12  -0.23   0.15    -0.12   0.17  -0.13
    25   1    -0.00   0.04   0.01     0.01   0.10   0.03     0.04  -0.07   0.01
    26   1    -0.02  -0.03  -0.04    -0.15  -0.15  -0.11     0.10   0.11   0.09
    27   1     0.11   0.09   0.02     0.28   0.20   0.08    -0.20  -0.14  -0.05
    28   1    -0.09  -0.05   0.04    -0.16  -0.09   0.11     0.13   0.07  -0.09
    29   1     0.08   0.07  -0.03     0.28   0.22  -0.08    -0.19  -0.16   0.05
    30   1     0.06  -0.20   0.12     0.02  -0.07   0.02     0.04  -0.14   0.09
    31   1    -0.04   0.37  -0.08    -0.00   0.05  -0.02    -0.02   0.24  -0.05
    32   1    -0.01  -0.21  -0.12    -0.00  -0.01  -0.02    -0.00  -0.15  -0.09
    33   1    -0.06   0.36   0.08    -0.01   0.09   0.01    -0.04   0.24   0.05
    34   1     0.16  -0.04  -0.08    -0.13   0.03   0.09    -0.15   0.04   0.09
    35   1    -0.21   0.10   0.05     0.27  -0.12  -0.06     0.23  -0.10  -0.05
    36   1     0.10  -0.06   0.08    -0.16   0.10  -0.09    -0.13   0.08  -0.09
    37   1    -0.24   0.10  -0.05     0.26  -0.10   0.06     0.23  -0.09   0.05
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1330.3753              1330.5205              1343.8680
 Red. masses --      1.1803                 1.1803                 1.1821
 Frc consts  --      1.2309                 1.2311                 1.2578
 IR Inten    --     23.9770                24.2175                 0.0058
 RamAct Fr= 1--      0.8792                 0.9106                 4.4732
  Dep-P Fr= 1--      0.7500                 0.7500                 0.2807
  Dep-U Fr= 1--      0.8571                 0.8571                 0.4384
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0486
 Beta2  Fr= 1--      0.1256                 0.1301                 0.3268
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0558
 Gamma2 Fr= 1--      4.2404                 4.2804                 0.0851
 Delta2 Fr= 1--      1.9794                 2.0036                 0.9058
 Raman1 Fr= 1--       3.517                  3.642                 17.893
 ROA1   Fr= 1--     470.424                475.032                 37.155
 CID1   Fr= 1--     133.770                130.421                  2.076
 Raman2 Fr= 1--       1.507                  1.561                  3.922
 ROA2   Fr= 1--      85.935                 86.701                 -5.204
 CID2   Fr= 1--      57.019                 55.543                 -1.327
 Raman3 Fr= 1--       3.014                  3.122                  7.844
 ROA3   Fr= 1--     470.424                475.032                 37.155
 CID3   Fr= 1--     156.065                152.159                  4.736
 RC180  Fr= 1--       0.714                  0.714                 -0.123
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.01    -0.01   0.03  -0.02     0.01  -0.02   0.02
     2   6     0.01  -0.01   0.01     0.03  -0.02   0.02    -0.02   0.01  -0.02
     3   7    -0.01  -0.01  -0.01    -0.03  -0.02  -0.03     0.03   0.02   0.02
     4  45    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   7    -0.02  -0.02   0.02    -0.02  -0.03   0.03     0.02   0.02  -0.02
     6   7     0.02  -0.00   0.01    -0.04   0.01  -0.03    -0.03   0.01  -0.02
     7   6    -0.01  -0.02  -0.01     0.02   0.03   0.02     0.01   0.02   0.02
     8   6     0.00   0.02   0.01    -0.01  -0.03  -0.02    -0.00  -0.02  -0.02
     9   7     0.02  -0.01  -0.02    -0.03   0.02   0.03    -0.03   0.01   0.02
    10   7    -0.00  -0.04   0.03     0.00  -0.00   0.00     0.00  -0.03   0.02
    11   6     0.04   0.01  -0.02     0.00   0.00  -0.00     0.02   0.01  -0.02
    12   6    -0.04   0.00   0.02    -0.00  -0.00  -0.00    -0.02   0.00   0.02
    13   7     0.01  -0.04  -0.03     0.00   0.00   0.00     0.01  -0.03  -0.02
    14   1     0.14   0.06   0.11    -0.18  -0.10  -0.16    -0.15  -0.06  -0.12
    15   1    -0.17  -0.03  -0.14     0.24   0.03   0.21     0.19   0.02   0.16
    16   1     0.02  -0.11  -0.09    -0.07   0.21   0.17    -0.07   0.15   0.12
    17   1    -0.08   0.10   0.12     0.15  -0.21  -0.22     0.12  -0.15  -0.16
    18   1     0.22  -0.14  -0.19     0.01  -0.02  -0.01     0.12  -0.11  -0.12
    19   1    -0.18   0.23   0.25    -0.02   0.02   0.02    -0.11   0.15   0.16
    20   1    -0.18  -0.19   0.19    -0.00   0.02  -0.00    -0.09  -0.13   0.12
    21   1     0.12   0.27  -0.25    -0.01  -0.01   0.01     0.07   0.17  -0.16
    22   1     0.01  -0.11   0.08    -0.02  -0.23   0.17     0.03   0.16  -0.12
    23   1     0.05   0.11  -0.11     0.10   0.25  -0.23    -0.08  -0.18   0.16
    24   1    -0.14   0.02  -0.10    -0.21   0.06  -0.17     0.16  -0.02   0.12
    25   1     0.16   0.01   0.13     0.25   0.03   0.22    -0.19  -0.03  -0.16
    26   1     0.06   0.05  -0.03     0.10   0.08  -0.03    -0.09  -0.07   0.04
    27   1     0.07   0.10   0.01     0.11   0.15   0.01    -0.13  -0.17  -0.01
    28   1     0.05   0.03   0.00     0.11   0.08   0.04    -0.09  -0.06  -0.04
    29   1     0.08   0.03  -0.01     0.19   0.07  -0.01    -0.21  -0.08   0.01
    30   1    -0.02   0.15   0.04    -0.00  -0.01  -0.01    -0.02   0.11   0.04
    31   1    -0.10   0.20  -0.01     0.01  -0.01   0.00    -0.09   0.20  -0.01
    32   1    -0.01   0.14  -0.04    -0.00   0.01  -0.02    -0.01   0.11  -0.04
    33   1     0.04   0.22   0.01     0.01   0.02   0.00     0.03   0.22   0.01
    34   1    -0.06   0.02  -0.01     0.12  -0.05   0.04     0.10  -0.04   0.04
    35   1    -0.10   0.01   0.01     0.20  -0.02  -0.01     0.22  -0.03  -0.01
    36   1    -0.08   0.03   0.03     0.11  -0.05  -0.03     0.10  -0.05  -0.04
    37   1    -0.10   0.09  -0.01     0.14  -0.12   0.01     0.17  -0.14   0.01
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1347.4951              1347.6581              1352.1210
 Red. masses --      1.1874                 1.1875                 1.2062
 Frc consts  --      1.2702                 1.2707                 1.2993
 IR Inten    --     11.8610                12.0372                 2.5903
 RamAct Fr= 1--     14.5426                14.6189                 0.0038
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7485
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8561
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      2.0775                 2.0884                 0.0005
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--    -10.2980               -10.1699                -0.0030
 Delta2 Fr= 1--     -0.3907                -0.3539                -0.0002
 Raman1 Fr= 1--      58.171                 58.476                  0.015
 ROA1   Fr= 1--   -1001.115               -987.638                 -0.289
 CID1   Fr= 1--     -17.210                -16.890                -19.017
 Raman2 Fr= 1--      24.930                 25.060                  0.006
 ROA2   Fr= 1--    -244.027               -241.248                 -0.070
 CID2   Fr= 1--      -9.788                 -9.627                -10.718
 Raman3 Fr= 1--      49.860                 50.121                  0.013
 ROA3   Fr= 1--   -1001.115               -987.638                 -0.289
 CID3   Fr= 1--     -20.078                -19.705                -22.212
 RC180  Fr= 1--       0.714                  0.714                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.03     0.01   0.02   0.04    -0.01  -0.01  -0.04
     2   6    -0.02  -0.00   0.03    -0.02  -0.01   0.04     0.01   0.01  -0.04
     3   7    -0.01  -0.02  -0.02    -0.01  -0.02  -0.03     0.01   0.02   0.02
     4  45     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   7     0.02   0.00  -0.02     0.02   0.00  -0.02    -0.02  -0.01   0.02
     6   7    -0.00   0.01  -0.01     0.02  -0.02   0.03     0.02  -0.02   0.02
     7   6    -0.01  -0.00   0.01     0.02  -0.00  -0.05     0.02  -0.01  -0.04
     8   6     0.01  -0.00   0.02    -0.01   0.02  -0.04    -0.01   0.01  -0.04
     9   7     0.01   0.00  -0.01    -0.03  -0.01   0.03    -0.03   0.00   0.02
    10   7     0.02  -0.02   0.03    -0.00   0.00  -0.01     0.01  -0.02   0.02
    11   6    -0.01  -0.02  -0.05     0.00   0.01   0.01     0.00  -0.02  -0.04
    12   6    -0.01   0.02  -0.05    -0.00  -0.00   0.01    -0.00   0.02  -0.04
    13   7     0.01   0.03   0.03    -0.00  -0.01  -0.01     0.00   0.03   0.02
    14   1     0.08  -0.00   0.05    -0.17   0.03  -0.10    -0.11   0.03  -0.06
    15   1    -0.11  -0.04  -0.09     0.28   0.10   0.23     0.23   0.08   0.19
    16   1    -0.04   0.02   0.02     0.15  -0.11  -0.11     0.10  -0.06  -0.06
    17   1     0.04  -0.08  -0.07    -0.13   0.28   0.24    -0.10   0.22   0.19
    18   1     0.07  -0.18  -0.11     0.00   0.02   0.01     0.03  -0.10  -0.06
    19   1    -0.24   0.21   0.25     0.04  -0.03  -0.04    -0.18   0.15   0.18
    20   1     0.02   0.19  -0.11    -0.02  -0.06   0.04     0.00   0.11  -0.06
    21   1    -0.18  -0.26   0.25     0.05   0.07  -0.07    -0.14  -0.19   0.18
    22   1    -0.08  -0.08   0.06    -0.09  -0.13   0.09     0.08   0.08  -0.06
    23   1     0.03   0.20  -0.15     0.05   0.25  -0.20    -0.04  -0.23   0.18
    24   1     0.13   0.05   0.08     0.12   0.06   0.08    -0.09  -0.05  -0.06
    25   1    -0.22   0.02  -0.18    -0.23   0.02  -0.18     0.24  -0.02   0.18
    26   1     0.01   0.02   0.06     0.03   0.04   0.07     0.01  -0.01  -0.07
    27   1    -0.16  -0.15  -0.04    -0.17  -0.15  -0.05     0.16   0.16   0.03
    28   1    -0.05  -0.02   0.06    -0.03  -0.01   0.07     0.01  -0.01  -0.07
    29   1     0.16   0.10  -0.04     0.21   0.13  -0.05    -0.20  -0.11   0.03
    30   1    -0.02   0.06  -0.09     0.00   0.01   0.02    -0.01  -0.00  -0.07
    31   1     0.06  -0.29   0.06    -0.02   0.08  -0.01     0.06  -0.22   0.03
    32   1    -0.01  -0.05  -0.09     0.00   0.03   0.01    -0.01  -0.00  -0.07
    33   1    -0.01   0.30   0.06     0.01  -0.04  -0.01     0.01   0.22   0.03
    34   1    -0.03   0.01   0.03     0.05  -0.00  -0.08     0.01   0.01  -0.07
    35   1     0.07  -0.03  -0.02    -0.28   0.09   0.06    -0.23   0.06   0.03
    36   1    -0.00  -0.00   0.03    -0.05   0.04  -0.08     0.00   0.01  -0.07
    37   1    -0.10   0.06  -0.02     0.25  -0.13   0.06     0.20  -0.12   0.03
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1404.5914              1404.6565              1408.2922
 Red. masses --      1.2727                 1.2726                 1.2568
 Frc consts  --      1.4793                 1.4794                 1.4686
 IR Inten    --      0.0667                 0.0785                 3.1039
 RamAct Fr= 1--      2.6149                 2.6299                 0.0001
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7339
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8466
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.3736                 0.3757                 0.0000
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--      3.2017                 3.2151                 0.0000
 Delta2 Fr= 1--      1.6636                 1.6723                 0.0000
 Raman1 Fr= 1--      10.460                 10.520                  0.000
 ROA1   Fr= 1--     360.599                362.161                  0.005
 CID1   Fr= 1--      34.475                 34.427                 17.270
 Raman2 Fr= 1--       4.483                  4.508                  0.000
 ROA2   Fr= 1--      63.532                 63.783                  0.001
 CID2   Fr= 1--      14.173                 14.147                  6.909
 Raman3 Fr= 1--       8.965                  9.017                  0.000
 ROA3   Fr= 1--     360.599                362.161                  0.005
 CID3   Fr= 1--      40.221                 40.165                 20.400
 RC180  Fr= 1--       0.714                  0.714                  0.693
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.00    -0.08   0.02  -0.03    -0.05   0.01  -0.02
     2   6    -0.00   0.01  -0.00     0.00   0.08  -0.03    -0.00   0.06  -0.02
     3   7     0.00  -0.00  -0.00     0.02  -0.02  -0.01     0.01  -0.01  -0.01
     4  45    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   7     0.00  -0.00  -0.00     0.01  -0.03  -0.01     0.01  -0.02  -0.01
     6   7     0.01   0.02  -0.01    -0.01  -0.01   0.01     0.01   0.02  -0.01
     7   6     0.02  -0.06  -0.02    -0.01   0.05   0.02     0.01  -0.05  -0.02
     8   6    -0.05  -0.03  -0.02     0.04   0.03   0.02    -0.05  -0.03  -0.02
     9   7     0.00   0.02  -0.01    -0.00  -0.02   0.00     0.00   0.02  -0.01
    10   7     0.02   0.01   0.01     0.01   0.00   0.00    -0.02  -0.01  -0.01
    11   6    -0.06   0.04   0.03    -0.02   0.02   0.01     0.05  -0.03  -0.02
    12   6    -0.05  -0.05   0.02    -0.02  -0.02   0.01     0.04   0.04  -0.02
    13   7     0.02  -0.00   0.01     0.01  -0.00   0.00    -0.02   0.00  -0.01
    14   1     0.25   0.06   0.20    -0.20  -0.05  -0.16     0.23   0.05   0.19
    15   1     0.17   0.11   0.15    -0.14  -0.09  -0.11     0.14   0.09   0.12
    16   1    -0.13   0.22   0.21     0.11  -0.18  -0.16    -0.13   0.21   0.19
    17   1    -0.04   0.21   0.14     0.04  -0.16  -0.12    -0.03   0.16   0.12
    18   1     0.22  -0.22  -0.24     0.09  -0.09  -0.10    -0.16   0.18   0.19
    19   1     0.22  -0.11  -0.17     0.08  -0.05  -0.07    -0.15   0.07   0.12
    20   1     0.15   0.27  -0.24     0.06   0.10  -0.10    -0.11  -0.21   0.19
    21   1     0.18   0.16  -0.17     0.08   0.07  -0.07    -0.12  -0.11   0.12
    22   1    -0.01  -0.04   0.04    -0.09  -0.32   0.26    -0.07  -0.23   0.19
    23   1     0.00  -0.04   0.03     0.01  -0.26   0.18     0.01  -0.17   0.12
    24   1     0.05   0.00   0.04     0.33  -0.00   0.26     0.24   0.01   0.19
    25   1     0.03  -0.01   0.03     0.25  -0.08   0.18     0.16  -0.05   0.12
    26   1     0.01   0.01   0.01     0.10   0.09   0.05     0.06   0.06   0.05
    27   1    -0.01  -0.01  -0.01    -0.12  -0.07  -0.05    -0.11  -0.08  -0.03
    28   1    -0.02  -0.01   0.01    -0.12  -0.07   0.05    -0.07  -0.04   0.05
    29   1     0.01   0.02  -0.01     0.10   0.09  -0.05     0.11   0.08  -0.03
    30   1    -0.03   0.12  -0.05    -0.01   0.05  -0.02     0.02  -0.08   0.05
    31   1     0.00  -0.12   0.04    -0.00  -0.05   0.02    -0.02   0.13  -0.03
    32   1     0.01  -0.13  -0.05     0.00  -0.05  -0.02    -0.00   0.09   0.05
    33   1    -0.03   0.12   0.05    -0.01   0.05   0.02     0.02  -0.13  -0.03
    34   1    -0.10   0.03   0.04     0.08  -0.03  -0.03    -0.08   0.02   0.05
    35   1     0.09  -0.05  -0.04    -0.07   0.04   0.03     0.12  -0.05  -0.03
    36   1     0.10  -0.05   0.04    -0.08   0.04  -0.03     0.07  -0.04   0.05
    37   1    -0.10   0.03  -0.04     0.08  -0.02   0.03    -0.12   0.05  -0.03
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1442.3422              1442.3721              1446.6146
 Red. masses --      1.4490                 1.4494                 1.4617
 Frc consts  --      1.7760                 1.7766                 1.8023
 IR Inten    --      3.2904                 3.2339                 0.0010
 RamAct Fr= 1--      0.3731                 0.3760                 0.5228
  Dep-P Fr= 1--      0.7500                 0.7499                 0.4877
  Dep-U Fr= 1--      0.8571                 0.8571                 0.6556
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0027
 Beta2  Fr= 1--      0.0533                 0.0537                 0.0571
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0485
 Gamma2 Fr= 1--     -1.3492                -1.3747                 0.2187
 Delta2 Fr= 1--     -1.0021                -1.0112                -0.0236
 Raman1 Fr= 1--       1.492                  1.504                  2.091
 ROA1   Fr= 1--    -161.591               -164.327                 20.238
 CID1   Fr= 1--    -108.284               -109.268                  9.677
 Raman2 Fr= 1--       0.640                  0.644                  0.686
 ROA2   Fr= 1--     -24.364                -24.903                  5.437
 CID2   Fr= 1--     -38.096                -38.640                  7.931
 Raman3 Fr= 1--       1.279                  1.289                  1.371
 ROA3   Fr= 1--    -161.591               -164.327                 20.238
 CID3   Fr= 1--    -126.332               -127.488                 14.760
 RC180  Fr= 1--       0.714                  0.714                  0.311
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02   0.02    -0.07   0.05  -0.06    -0.05   0.04  -0.05
     2   6    -0.01   0.02  -0.02     0.03  -0.08   0.06     0.03  -0.06   0.05
     3   7     0.01  -0.01   0.00    -0.03   0.02  -0.00    -0.02   0.01   0.00
     4  45     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   7    -0.00   0.01  -0.00     0.01  -0.03   0.00     0.01  -0.02  -0.00
     6   7    -0.01  -0.02  -0.00    -0.02  -0.02  -0.00     0.01   0.02  -0.00
     7   6     0.01   0.06   0.04     0.01   0.07   0.05    -0.01  -0.06  -0.04
     8   6    -0.04  -0.05  -0.04    -0.04  -0.05  -0.05     0.04   0.05   0.04
     9   7     0.00   0.02   0.00     0.00   0.02   0.00    -0.00  -0.02   0.00
    10   7     0.03   0.01  -0.00    -0.01  -0.00   0.00     0.02   0.01   0.00
    11   6    -0.09   0.01   0.06     0.02  -0.00  -0.02    -0.06   0.01   0.04
    12   6     0.08   0.04  -0.06    -0.02  -0.01   0.02     0.06   0.02  -0.04
    13   7    -0.03   0.01   0.00     0.01  -0.00  -0.00    -0.02   0.00  -0.00
    14   1     0.20   0.11   0.22     0.23   0.10   0.23    -0.20  -0.12  -0.23
    15   1     0.13   0.08   0.06     0.13   0.06   0.08    -0.13  -0.09  -0.06
    16   1     0.09  -0.22  -0.21     0.07  -0.23  -0.23    -0.06   0.22   0.23
    17   1     0.05  -0.13  -0.08     0.04  -0.15  -0.07    -0.03   0.15   0.06
    18   1     0.27  -0.19  -0.31    -0.07   0.03   0.09     0.20  -0.11  -0.23
    19   1     0.17  -0.11  -0.10    -0.06   0.02   0.01     0.14  -0.07  -0.06
    20   1    -0.22  -0.25   0.31     0.05   0.08  -0.07    -0.16  -0.16   0.23
    21   1    -0.14  -0.15   0.10     0.02   0.04  -0.04    -0.12  -0.11   0.06
    22   1    -0.02  -0.10   0.08     0.02   0.32  -0.30    -0.00   0.24  -0.24
    23   1    -0.02  -0.05   0.04     0.01   0.20  -0.09    -0.01   0.16  -0.06
    24   1    -0.08   0.03  -0.09     0.32  -0.06   0.30     0.23  -0.06   0.24
    25   1    -0.06   0.02  -0.02     0.19  -0.04   0.10     0.15  -0.05   0.06
    26   1    -0.04  -0.03  -0.01     0.13   0.10   0.02     0.10   0.08   0.03
    27   1     0.03   0.01   0.01    -0.11  -0.01  -0.07    -0.07  -0.02  -0.04
    28   1    -0.04  -0.03   0.01     0.13   0.10  -0.02     0.10   0.07  -0.03
    29   1     0.01   0.03  -0.02    -0.04  -0.10   0.06    -0.03  -0.06   0.04
    30   1     0.02  -0.17   0.02    -0.01   0.04  -0.00     0.02  -0.12   0.03
    31   1     0.04   0.11  -0.06    -0.02  -0.03   0.02     0.02   0.07  -0.04
    32   1     0.02  -0.16  -0.02    -0.00   0.04   0.01     0.01  -0.12  -0.03
    33   1    -0.07   0.09   0.07     0.01  -0.03  -0.01    -0.03   0.06   0.04
    34   1     0.11  -0.05  -0.01     0.11  -0.05  -0.01    -0.12   0.04   0.03
    35   1    -0.05   0.07   0.05    -0.05   0.06   0.05     0.05  -0.05  -0.04
    36   1     0.11  -0.05   0.01     0.11  -0.05   0.01    -0.11   0.05  -0.03
    37   1    -0.08  -0.01  -0.04    -0.09  -0.02  -0.05     0.07   0.00   0.04
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1503.0039              1503.1437              1503.6059
 Red. masses --      1.0769                 1.0776                 1.0812
 Frc consts  --      1.4333                 1.4345                 1.4402
 IR Inten    --     44.6696                36.1817                 1.6456
 RamAct Fr= 1--     10.1006                13.3222                 1.1572
  Dep-P Fr= 1--      0.7471                 0.6498                 0.6533
  Dep-U Fr= 1--      0.8553                 0.7877                 0.7903
 Alpha2 Fr= 1--      0.0005                 0.0240                 0.0020
 Beta2  Fr= 1--      1.4398                 1.7490                 0.1524
 AlphaG Fr= 1--     -0.0009                -0.0444                -0.0036
 Gamma2 Fr= 1--     -1.1953                 0.3636                 0.4205
 Delta2 Fr= 1--     -1.3197                -0.9457                 0.0487
 Raman1 Fr= 1--      40.402                 53.289                  4.629
 ROA1   Fr= 1--    -156.973                  4.640                 41.930
 CID1   Fr= 1--      -3.885                  0.087                  9.058
 Raman2 Fr= 1--      17.278                 20.989                  1.829
 ROA2   Fr= 1--     -18.129                 16.291                  9.704
 CID2   Fr= 1--      -1.049                  0.776                  5.305
 Raman3 Fr= 1--      34.555                 41.977                  3.658
 ROA3   Fr= 1--    -156.973                  4.640                 41.930
 CID3   Fr= 1--      -4.543                  0.111                 11.462
 RC180  Fr= 1--       0.711                  0.575                  0.581
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.00     0.00  -0.02  -0.00     0.00  -0.01   0.00
     2   6    -0.05   0.01   0.01     0.04  -0.01  -0.00     0.03  -0.01  -0.00
     3   7    -0.01  -0.00   0.00     0.01   0.00  -0.00     0.00   0.00   0.00
     4  45     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   7    -0.01  -0.00   0.00    -0.01   0.00   0.00     0.00  -0.00   0.00
     7   6    -0.03  -0.01   0.00    -0.04  -0.02   0.00     0.03   0.02  -0.00
     8   6    -0.00  -0.01  -0.00     0.01  -0.03   0.00    -0.01   0.02  -0.00
     9   7     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   7    -0.00  -0.01   0.00    -0.00  -0.01  -0.00    -0.00  -0.01   0.00
    11   6    -0.02  -0.02  -0.00    -0.01  -0.02  -0.01    -0.03  -0.03  -0.00
    12   6    -0.03   0.02  -0.00     0.00  -0.01   0.00    -0.03   0.02  -0.00
    13   7    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    14   1    -0.02   0.05   0.05    -0.17   0.16   0.13     0.15  -0.13  -0.10
    15   1     0.00   0.06  -0.04     0.00   0.23  -0.15    -0.00  -0.19   0.13
    16   1     0.29  -0.04   0.12     0.38  -0.03   0.18    -0.24   0.01  -0.12
    17   1     0.18   0.19  -0.18     0.25   0.26  -0.24    -0.15  -0.17   0.15
    18   1     0.06   0.25  -0.13     0.01   0.19  -0.06     0.07   0.34  -0.18
    19   1     0.22   0.12   0.17     0.14   0.08   0.12     0.29   0.16   0.23
    20   1     0.13  -0.26  -0.14    -0.02   0.09   0.01     0.14  -0.27  -0.16
    21   1     0.27  -0.07   0.19    -0.06   0.02  -0.05     0.29  -0.07   0.20
    22   1     0.36   0.14   0.17    -0.31  -0.11  -0.16    -0.23  -0.09  -0.12
    23   1     0.30  -0.18  -0.24    -0.26   0.16   0.21    -0.20   0.12   0.16
    24   1    -0.03  -0.09   0.08     0.10   0.17  -0.11     0.04   0.08  -0.06
    25   1     0.03  -0.10  -0.07    -0.05   0.18   0.13    -0.02   0.09   0.06
    26   1     0.01   0.01   0.02     0.01   0.00  -0.01    -0.01  -0.02  -0.02
    27   1     0.00  -0.01   0.00     0.00   0.01  -0.00    -0.01   0.01  -0.01
    28   1     0.02   0.01  -0.01    -0.00  -0.00  -0.00     0.02   0.01  -0.01
    29   1    -0.01   0.01  -0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
    30   1     0.00  -0.02  -0.00    -0.01   0.03  -0.02    -0.01   0.02  -0.02
    31   1    -0.01  -0.01   0.00     0.01  -0.00  -0.00     0.01   0.00  -0.01
    32   1    -0.00   0.01  -0.01     0.00   0.03   0.02    -0.01  -0.02  -0.02
    33   1    -0.00   0.01   0.00    -0.01  -0.00   0.00     0.01   0.00  -0.00
    34   1     0.02  -0.01  -0.01     0.01  -0.00   0.00     0.02  -0.00  -0.02
    35   1    -0.00  -0.01  -0.00     0.00  -0.01  -0.00    -0.00  -0.01  -0.00
    36   1     0.01  -0.01   0.02    -0.01  -0.00   0.02    -0.00   0.01  -0.01
    37   1    -0.00   0.01   0.00    -0.01   0.01   0.00    -0.00  -0.01  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1504.0513              1504.4687              1504.7975
 Red. masses --      1.0782                 1.0843                 1.0843
 Frc consts  --      1.4371                 1.4461                 1.4466
 IR Inten    --      5.4559                 4.2638                 1.0395
 RamAct Fr= 1--     16.6636                 0.7944                 2.3610
  Dep-P Fr= 1--      0.3103                 0.6638                 0.6964
  Dep-U Fr= 1--      0.4736                 0.7979                 0.8210
 Alpha2 Fr= 1--      0.1657                 0.0012                 0.0022
 Beta2  Fr= 1--      1.3153                 0.1057                 0.3231
 AlphaG Fr= 1--     -0.3028                -0.0022                -0.0042
 Gamma2 Fr= 1--     -2.1258                 2.2723                 3.3623
 Delta2 Fr= 1--     -0.6270                 1.0120                 1.1522
 Raman1 Fr= 1--      66.655                  3.178                  9.444
 ROA1   Fr= 1--    -224.138                250.525                359.654
 CID1   Fr= 1--      -3.363                 78.837                 38.082
 Raman2 Fr= 1--      15.784                  1.268                  3.877
 ROA2   Fr= 1--     -46.002                 46.439                 71.478
 CID2   Fr= 1--      -2.914                 36.629                 18.437
 Raman3 Fr= 1--      31.568                  2.536                  7.754
 ROA3   Fr= 1--    -224.138                250.525                359.654
 CID3   Fr= 1--      -7.100                 98.800                 46.383
 RC180  Fr= 1--      -0.053                  0.596                  0.642
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04  -0.01    -0.00  -0.01  -0.00    -0.01  -0.06  -0.01
     2   6    -0.01  -0.01   0.01    -0.02   0.00   0.00    -0.02  -0.00   0.01
     3   7    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     4  45    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     5   7    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
     6   7     0.01   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.03   0.00  -0.01     0.03   0.01  -0.00    -0.02  -0.00   0.00
     8   6     0.02  -0.04   0.01     0.01  -0.02   0.00    -0.02   0.04  -0.00
     9   7     0.01  -0.01   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   7     0.00   0.00   0.00    -0.00  -0.01  -0.00    -0.00   0.00  -0.00
    11   6     0.01   0.02   0.01    -0.03  -0.04  -0.01     0.00   0.00   0.00
    12   6    -0.02   0.02  -0.01     0.04  -0.03   0.01     0.01  -0.01   0.00
    13   7    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00  -0.00  -0.00
    14   1    -0.34   0.24   0.15    -0.14   0.09   0.05     0.28  -0.21  -0.14
    15   1     0.01   0.36  -0.25     0.01   0.14  -0.09    -0.02  -0.31   0.21
    16   1    -0.22   0.06  -0.05    -0.23   0.04  -0.09     0.13  -0.04   0.03
    17   1    -0.13  -0.13   0.13    -0.14  -0.16   0.14     0.07   0.09  -0.07
    18   1    -0.00  -0.16   0.04     0.03   0.40  -0.14    -0.01  -0.04   0.02
    19   1    -0.12  -0.06  -0.09     0.31   0.16   0.24    -0.03  -0.02  -0.03
    20   1     0.08  -0.24  -0.09    -0.13   0.38   0.13    -0.03   0.07   0.04
    21   1     0.21  -0.05   0.15    -0.34   0.07  -0.23    -0.07   0.02  -0.05
    22   1     0.10   0.07   0.01     0.18   0.07   0.08     0.18   0.11   0.05
    23   1     0.07  -0.04  -0.06     0.15  -0.09  -0.12     0.14  -0.10  -0.11
    24   1     0.22   0.26  -0.12     0.06   0.05  -0.02     0.31   0.38  -0.19
    25   1    -0.08   0.28   0.21    -0.02   0.06   0.04    -0.13   0.42   0.30
    26   1     0.02   0.03   0.02     0.01   0.01   0.02    -0.00  -0.00   0.02
    27   1     0.01  -0.02   0.01     0.01  -0.01   0.01     0.01  -0.01   0.00
    28   1     0.03   0.01  -0.03    -0.01  -0.01  -0.00     0.02   0.00  -0.04
    29   1    -0.01   0.01  -0.01    -0.00  -0.00   0.00    -0.02   0.02  -0.01
    30   1     0.01  -0.02   0.02    -0.01   0.01  -0.03     0.00  -0.01   0.00
    31   1    -0.02  -0.00   0.00     0.02  -0.00  -0.01    -0.00   0.00   0.00
    32   1    -0.01  -0.03  -0.03     0.00   0.01   0.03     0.00   0.01   0.01
    33   1     0.02   0.00  -0.01    -0.02  -0.01   0.01    -0.00  -0.00   0.00
    34   1    -0.03   0.00   0.04     0.01  -0.00   0.01     0.01   0.00  -0.03
    35   1     0.01   0.02   0.01     0.00   0.00  -0.00    -0.01  -0.01  -0.01
    36   1    -0.03   0.02  -0.03    -0.01   0.01  -0.02    -0.01   0.01   0.01
    37   1    -0.01  -0.02  -0.01    -0.00  -0.02  -0.01    -0.00   0.01  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1647.3931              1656.8081              1657.1609
 Red. masses --      1.0762                 1.0806                 1.0807
 Frc consts  --      1.7208                 1.7477                 1.7486
 IR Inten    --    228.3455                 5.4145                 5.2090
 RamAct Fr= 1--      0.0018                 4.7538                 4.8507
  Dep-P Fr= 1--      0.7494                 0.7500                 0.7499
  Dep-U Fr= 1--      0.8568                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0003                 0.6791                 0.6929
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--      0.0031                 2.3243                 2.5683
 Delta2 Fr= 1--      0.0008                 3.8943                 4.0015
 Raman1 Fr= 1--       0.007                 19.015                 19.403
 ROA1   Fr= 1--       0.319                347.753                374.605
 CID1   Fr= 1--      43.749                 18.288                 19.307
 Raman2 Fr= 1--       0.003                  8.149                  8.315
 ROA2   Fr= 1--       0.067                 24.629                 29.627
 CID2   Fr= 1--      21.509                  3.022                  3.563
 Raman3 Fr= 1--       0.006                 16.298                 16.630
 ROA3   Fr= 1--       0.319                347.753                374.605
 CID3   Fr= 1--      51.064                 21.337                 22.526
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00   0.01  -0.01     0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.01   0.00  -0.01
     3   7     0.00   0.01  -0.02     0.00  -0.00   0.00     0.00   0.02  -0.04
     4  45    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   7    -0.01   0.00  -0.03    -0.02   0.00  -0.04     0.00  -0.00   0.01
     6   7     0.01  -0.01  -0.02    -0.00   0.01   0.02    -0.01   0.01   0.03
     7   6    -0.00   0.00  -0.00     0.00   0.01   0.01     0.00   0.00   0.00
     8   6     0.00  -0.00  -0.00    -0.00  -0.01  -0.01    -0.00   0.00   0.00
     9   7    -0.01  -0.01  -0.03    -0.01  -0.01  -0.03     0.01   0.00   0.02
    10   7     0.01  -0.01  -0.03    -0.01   0.01   0.03    -0.01   0.01   0.02
    11   6    -0.00   0.00  -0.00    -0.00  -0.00   0.01    -0.01  -0.00   0.01
    12   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01  -0.00  -0.01
    13   7     0.01   0.01  -0.03    -0.00  -0.01   0.01     0.01   0.02  -0.04
    14   1     0.00  -0.01  -0.01     0.00   0.01   0.02     0.00   0.00   0.01
    15   1     0.01  -0.01   0.01     0.02   0.01   0.00    -0.01   0.01  -0.01
    16   1    -0.01  -0.00  -0.01    -0.01  -0.01  -0.02     0.00  -0.00   0.00
    17   1    -0.02  -0.00   0.01     0.00  -0.02  -0.00     0.01  -0.00  -0.01
    18   1     0.00   0.00  -0.01     0.00   0.00   0.00     0.01   0.01  -0.02
    19   1     0.01   0.02   0.01     0.01  -0.02  -0.01     0.03  -0.01   0.00
    20   1     0.00  -0.00  -0.01    -0.01   0.00   0.01    -0.01   0.00   0.01
    21   1     0.01  -0.02   0.01    -0.02   0.00  -0.01    -0.02  -0.02   0.00
    22   1    -0.01   0.00  -0.01    -0.01   0.01  -0.02     0.01  -0.01   0.01
    23   1    -0.02  -0.00   0.01    -0.01   0.02   0.00    -0.01  -0.02   0.01
    24   1     0.00   0.01  -0.01     0.00  -0.01   0.01    -0.01   0.01  -0.02
    25   1     0.01   0.02   0.01     0.02   0.00   0.01    -0.01   0.01   0.00
    26   1    -0.03   0.08   0.27    -0.03   0.13   0.39     0.01  -0.01  -0.05
    27   1     0.22  -0.14   0.15     0.29  -0.20   0.20    -0.03   0.04  -0.03
    28   1    -0.07   0.05   0.26    -0.00  -0.01  -0.02    -0.11   0.06   0.37
    29   1     0.07  -0.24   0.14    -0.02   0.02  -0.01     0.11  -0.32   0.20
    30   1     0.08  -0.01   0.27    -0.04   0.02  -0.11     0.12  -0.04   0.38
    31   1    -0.22  -0.12   0.14     0.09   0.05  -0.06    -0.32  -0.15   0.20
    32   1     0.08   0.03   0.28    -0.10  -0.07  -0.35    -0.06  -0.03  -0.21
    33   1    -0.26   0.06   0.15     0.32  -0.07  -0.19     0.19  -0.03  -0.11
    34   1    -0.05  -0.07   0.26     0.05   0.05  -0.22     0.08   0.06  -0.27
    35   1     0.01   0.25   0.14    -0.02  -0.20  -0.11    -0.02  -0.25  -0.14
    36   1    -0.01  -0.09   0.27     0.00  -0.11   0.32    -0.01   0.07  -0.19
    37   1     0.17   0.19   0.14     0.19   0.23   0.17    -0.12  -0.13  -0.10
                     79                     80                     81
                      A                      A                      A
 Frequencies --   1660.8726              1666.1424              1666.4758
 Red. masses --      1.0763                 1.0768                 1.0769
 Frc consts  --      1.7492                 1.7612                 1.7621
 IR Inten    --      0.0349                 5.1444                 4.9213
 RamAct Fr= 1--     15.6393                 2.0582                 2.1474
  Dep-P Fr= 1--      0.7458                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8544                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0011                 0.0000                 0.0000
 Beta2  Fr= 1--      2.2271                 0.2940                 0.3068
 AlphaG Fr= 1--      0.0055                 0.0000                 0.0000
 Gamma2 Fr= 1--    -22.3937                 5.9659                 6.1463
 Delta2 Fr= 1--    -10.0013                 1.3550                 1.4282
 Raman1 Fr= 1--      62.557                  8.233                  8.590
 ROA1   Fr= 1--   -2469.832                616.090                635.748
 CID1   Fr= 1--     -39.481                 74.835                 74.013
 Raman2 Fr= 1--      26.725                  3.528                  3.681
 ROA2   Fr= 1--    -457.438                132.342                136.086
 CID2   Fr= 1--     -17.117                 37.509                 36.967
 Raman3 Fr= 1--      53.449                  7.057                  7.363
 ROA3   Fr= 1--   -2469.832                616.090                635.748
 CID3   Fr= 1--     -46.209                 87.308                 86.349
 RC180  Fr= 1--       0.709                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.00    -0.00   0.01  -0.01     0.00  -0.00   0.00
     2   6     0.01  -0.00   0.01     0.00  -0.00   0.00    -0.01   0.00  -0.01
     3   7    -0.00  -0.01   0.03    -0.00   0.00  -0.00     0.00   0.02  -0.04
     4  45    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   7    -0.01   0.00  -0.02    -0.02   0.00  -0.04    -0.00   0.00  -0.00
     6   7     0.01  -0.01  -0.03    -0.00   0.01   0.02     0.01  -0.01  -0.03
     7   6    -0.01  -0.00  -0.01     0.00  -0.00   0.00    -0.01  -0.01  -0.01
     8   6    -0.00   0.01   0.01    -0.00   0.00   0.01     0.00   0.01   0.00
     9   7     0.01   0.01   0.03     0.02   0.01   0.03     0.01   0.00   0.02
    10   7    -0.01   0.01   0.02     0.01  -0.01  -0.03    -0.01   0.01   0.02
    11   6    -0.00  -0.00   0.00     0.01   0.00  -0.01     0.00  -0.00   0.00
    12   6     0.01  -0.00  -0.00    -0.01   0.00   0.00    -0.00   0.00   0.01
    13   7     0.01   0.01  -0.02    -0.00  -0.01   0.02    -0.01  -0.01   0.03
    14   1     0.03  -0.02  -0.01     0.01  -0.00   0.00     0.01  -0.01  -0.01
    15   1    -0.02  -0.03   0.01    -0.02  -0.00  -0.00    -0.02  -0.02   0.01
    16   1     0.03  -0.01   0.01    -0.00   0.00   0.01     0.02  -0.01   0.01
    17   1     0.00   0.03  -0.01     0.01  -0.00  -0.01    -0.00   0.03  -0.00
    18   1    -0.00   0.03  -0.01     0.00  -0.02   0.01    -0.00   0.00   0.01
    19   1     0.03  -0.00   0.01    -0.03   0.01  -0.00    -0.00  -0.01  -0.01
    20   1    -0.00   0.03   0.01     0.01  -0.02  -0.01     0.00  -0.02   0.00
    21   1    -0.03  -0.01  -0.01     0.02   0.01   0.01     0.01   0.02  -0.00
    22   1    -0.03  -0.02  -0.01    -0.01  -0.00  -0.01     0.02   0.01   0.00
    23   1    -0.01   0.03   0.01    -0.01   0.01   0.01     0.00  -0.03   0.00
    24   1    -0.02  -0.02   0.01    -0.02  -0.01   0.00     0.00   0.01  -0.01
    25   1     0.02  -0.02  -0.01     0.03  -0.01   0.00    -0.01   0.01   0.01
    26   1    -0.03   0.07   0.26    -0.03   0.13   0.39    -0.01   0.00   0.04
    27   1     0.19  -0.13   0.13     0.29  -0.20   0.20     0.03  -0.03   0.02
    28   1     0.07  -0.06  -0.29     0.00   0.01   0.04    -0.12   0.06   0.39
    29   1    -0.08   0.25  -0.15     0.02  -0.03   0.02     0.11  -0.33   0.20
    30   1     0.08  -0.01   0.26    -0.06   0.03  -0.16    -0.11   0.03  -0.35
    31   1    -0.21  -0.11   0.13     0.13   0.07  -0.08     0.29   0.14  -0.18
    32   1    -0.07  -0.02  -0.24     0.09   0.06   0.30    -0.06  -0.03  -0.21
    33   1     0.21  -0.05  -0.12    -0.27   0.06   0.16     0.19  -0.03  -0.11
    34   1    -0.06  -0.08   0.31     0.05   0.06  -0.24    -0.09  -0.07   0.32
    35   1     0.01   0.28   0.16    -0.02  -0.22  -0.13     0.02   0.28   0.16
    36   1     0.01   0.09  -0.29     0.00   0.11  -0.35    -0.01   0.06  -0.16
    37   1    -0.18  -0.19  -0.15    -0.20  -0.24  -0.18    -0.10  -0.11  -0.08
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3069.3389              3070.0140              3070.2424
 Red. masses --      1.0635                 1.0633                 1.0633
 Frc consts  --      5.9032                 5.9047                 5.9053
 IR Inten    --      4.7813                 5.1299                 6.8662
 RamAct Fr= 1--    287.7739               270.6923               142.7179
  Dep-P Fr= 1--      0.0305                 0.0331                 0.0676
  Dep-U Fr= 1--      0.0591                 0.0640                 0.1267
 Alpha2 Fr= 1--      5.9538                 5.5659                 2.7027
 Beta2  Fr= 1--      2.8361                 2.8893                 3.0135
 AlphaG Fr= 1--     -1.1276                -1.0439                -0.5065
 Gamma2 Fr= 1--    -12.5521                -9.3836                12.7197
 Delta2 Fr= 1--     -6.0621                -4.0550                 9.6823
 Raman1 Fr= 1--    1151.096               1082.769                570.872
 ROA1   Fr= 1--   -1398.986              -1030.585               1530.924
 CID1   Fr= 1--      -1.215                 -0.952                  2.682
 Raman2 Fr= 1--      34.033                 34.672                 36.162
 ROA2   Fr= 1--    -252.753               -192.766                227.815
 CID2   Fr= 1--      -7.427                 -5.560                  6.300
 Raman3 Fr= 1--      68.067                 69.343                 72.325
 ROA3   Fr= 1--   -1398.986              -1030.585               1530.924
 CID3   Fr= 1--     -20.553                -14.862                 21.167
 RC180  Fr= 1--      -0.882                 -0.872                 -0.747
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.01  -0.00     0.00  -0.05  -0.01
     2   6     0.00  -0.00  -0.00    -0.01   0.00   0.00    -0.04   0.02   0.01
     3   7    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4  45    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   7     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00     0.04   0.03  -0.01    -0.01  -0.01   0.00
     8   6    -0.00   0.00  -0.00     0.01  -0.05   0.01    -0.00   0.01  -0.00
     9   7    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    10   7     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    11   6    -0.04  -0.03  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6     0.04  -0.02   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    13   7    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    14   1    -0.01  -0.03   0.03     0.16   0.41  -0.39    -0.03  -0.07   0.07
    15   1     0.01  -0.01  -0.01    -0.25   0.13   0.23     0.04  -0.02  -0.04
    16   1     0.02   0.04  -0.03    -0.18  -0.40   0.39     0.04   0.08  -0.08
    17   1     0.02  -0.01   0.02    -0.27   0.08  -0.23     0.06  -0.02   0.05
    18   1     0.44   0.07   0.40     0.03   0.00   0.03     0.02   0.00   0.02
    19   1    -0.01   0.29  -0.23    -0.00   0.02  -0.02    -0.00   0.02  -0.01
    20   1    -0.44  -0.05  -0.40    -0.04  -0.00  -0.04    -0.01  -0.00  -0.01
    21   1    -0.06   0.27   0.23    -0.01   0.03   0.02    -0.00   0.00   0.00
    22   1    -0.02   0.02   0.03     0.05  -0.06  -0.07     0.27  -0.34  -0.39
    23   1    -0.02  -0.01  -0.02     0.04   0.02   0.04     0.24   0.15   0.23
    24   1     0.01  -0.02  -0.02    -0.05   0.07   0.08    -0.26   0.36   0.39
    25   1    -0.01  -0.01   0.01     0.04   0.04  -0.05     0.21   0.20  -0.24
    26   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    27   1     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.01
    28   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01   0.00   0.00
    29   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.01
    30   1     0.01  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    31   1     0.00   0.00   0.01     0.00   0.00   0.00     0.00   0.00  -0.00
    32   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    33   1    -0.00   0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    34   1     0.00  -0.00   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    35   1     0.00   0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
    36   1     0.00   0.00  -0.00     0.00  -0.01   0.00    -0.00   0.00   0.00
    37   1     0.00   0.00  -0.00    -0.00  -0.00   0.01     0.00   0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3074.8616              3075.3033              3075.6091
 Red. masses --      1.0604                 1.0604                 1.0605
 Frc consts  --      5.9070                 5.9085                 5.9105
 IR Inten    --      3.7695                 1.5980                21.1921
 RamAct Fr= 1--     61.4947                68.6116                12.2182
  Dep-P Fr= 1--      0.7494                 0.7496                 0.7490
  Dep-U Fr= 1--      0.8568                 0.8569                 0.8565
 Alpha2 Fr= 1--      0.0006                 0.0004                 0.0002
 Beta2  Fr= 1--      8.7812                 9.7990                 1.7441
 AlphaG Fr= 1--     -0.0001                -0.0001                -0.0001
 Gamma2 Fr= 1--     12.6889                14.1097                 2.4906
 Delta2 Fr= 1--      9.1534                10.0811                 1.7773
 Raman1 Fr= 1--     245.979                274.446                 48.873
 ROA1   Fr= 1--    1511.041               1677.127                295.967
 CID1   Fr= 1--       6.143                  6.111                  6.056
 Raman2 Fr= 1--     105.374                117.588                 20.930
 ROA2   Fr= 1--     231.306                257.985                 45.555
 CID2   Fr= 1--       2.195                  2.194                  2.177
 Raman3 Fr= 1--     210.748                235.175                 41.859
 ROA3   Fr= 1--    1511.041               1677.127                295.967
 CID3   Fr= 1--       7.170                  7.131                  7.071
 RC180  Fr= 1--       0.714                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.00    -0.00  -0.03  -0.00     0.01   0.04   0.00
     2   6    -0.01   0.00   0.00     0.03  -0.00  -0.00    -0.04   0.01   0.00
     3   7     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4  45    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   7     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   6    -0.01  -0.00   0.00    -0.04  -0.02   0.00    -0.02  -0.01   0.00
     8   6     0.00  -0.01   0.00     0.01  -0.04   0.00     0.01  -0.02   0.00
     9   7     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   7     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    11   6    -0.03  -0.04  -0.00     0.00   0.00   0.00     0.01   0.01   0.00
    12   6    -0.04   0.03  -0.00     0.00  -0.00  -0.00     0.01  -0.01   0.00
    13   7     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1     0.03   0.08  -0.07     0.11   0.28  -0.27     0.07   0.18  -0.18
    15   1    -0.07   0.04   0.07    -0.28   0.15   0.25    -0.19   0.10   0.17
    16   1     0.03   0.06  -0.06     0.12   0.28  -0.28     0.08   0.18  -0.17
    17   1     0.07  -0.02   0.06     0.31  -0.10   0.26     0.20  -0.06   0.16
    18   1     0.35   0.05   0.32    -0.04  -0.01  -0.03    -0.08  -0.01  -0.08
    19   1    -0.01   0.37  -0.30     0.00  -0.04   0.03     0.00  -0.09   0.07
    20   1     0.36   0.04   0.33    -0.02  -0.00  -0.02    -0.09  -0.01  -0.08
    21   1     0.08  -0.37  -0.30    -0.01   0.03   0.02    -0.02   0.09   0.07
    22   1     0.03  -0.04  -0.04    -0.13   0.17   0.19     0.19  -0.24  -0.27
    23   1     0.05   0.03   0.04    -0.19  -0.12  -0.18     0.27   0.17   0.26
    24   1     0.04  -0.05  -0.06    -0.12   0.16   0.18     0.18  -0.24  -0.27
    25   1    -0.05  -0.04   0.05     0.16   0.15  -0.17    -0.24  -0.22   0.25
    26   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.01  -0.00
    27   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    28   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01   0.00   0.00
    29   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    30   1    -0.01   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    32   1    -0.01  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    33   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    34   1     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    35   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    36   1     0.00  -0.00  -0.00     0.00  -0.01   0.00     0.00  -0.00  -0.00
    37   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3115.2043              3115.4595              3115.5691
 Red. masses --      1.1072                 1.1074                 1.1074
 Frc consts  --      6.3308                 6.3326                 6.3333
 IR Inten    --      9.7779                10.7282                 3.7552
 RamAct Fr= 1--    164.9879               160.0783               182.2897
  Dep-P Fr= 1--      0.4973                 0.5973                 0.1669
  Dep-U Fr= 1--      0.6643                 0.7479                 0.2860
 Alpha2 Fr= 1--      0.8249                 0.4533                 2.6992
 Beta2  Fr= 1--     18.2668                19.9540                 8.6894
 AlphaG Fr= 1--      0.0775                 0.0446                 0.2693
 Gamma2 Fr= 1--    -38.1641               -46.7614                10.7278
 Delta2 Fr= 1--    -28.8930               -36.5159                14.1583
 Raman1 Fr= 1--     659.952                640.313                729.159
 ROA1   Fr= 1--   -4588.334              -5657.601               1482.933
 CID1   Fr= 1--      -6.953                 -8.836                  2.034
 Raman2 Fr= 1--     219.202                239.448                104.273
 ROA2   Fr= 1--    -684.796               -830.146                144.200
 CID2   Fr= 1--      -3.124                 -3.467                  1.383
 Raman3 Fr= 1--     438.404                478.897                208.547
 ROA3   Fr= 1--   -4588.334              -5657.601               1482.933
 CID3   Fr= 1--     -10.466                -11.814                  7.111
 RC180  Fr= 1--       0.329                  0.496                 -0.428
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.02  -0.00   0.02    -0.04  -0.01   0.05
     2   6    -0.00  -0.00  -0.00    -0.01  -0.02  -0.02    -0.02  -0.03  -0.05
     3   7    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     4  45    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     5   7     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   7    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   6     0.00  -0.00   0.01    -0.03   0.03  -0.05     0.01  -0.01   0.02
     8   6     0.01   0.00  -0.01    -0.04  -0.00   0.05     0.02   0.00  -0.02
     9   7    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    10   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    11   6     0.02  -0.04   0.05     0.00  -0.00   0.00    -0.00   0.00  -0.01
    12   6    -0.01  -0.04  -0.05    -0.00  -0.00  -0.00     0.00   0.01   0.01
    13   7     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   1    -0.01  -0.03   0.03     0.09   0.23  -0.22    -0.04  -0.10   0.09
    15   1    -0.05   0.03   0.05     0.37  -0.22  -0.34    -0.16   0.09   0.15
    16   1     0.01   0.03  -0.03    -0.11  -0.23   0.22     0.05   0.10  -0.09
    17   1    -0.05   0.01  -0.04     0.42  -0.11   0.34    -0.18   0.05  -0.14
    18   1    -0.27  -0.05  -0.23    -0.02  -0.00  -0.02     0.03   0.01   0.03
    19   1     0.00   0.47  -0.37     0.00   0.04  -0.03    -0.00  -0.06   0.05
    20   1     0.27   0.02   0.23     0.02   0.00   0.02    -0.04  -0.00  -0.03
    21   1    -0.12   0.46   0.36    -0.01   0.03   0.03     0.02  -0.06  -0.05
    22   1    -0.02   0.02   0.02    -0.07   0.09   0.10    -0.16   0.19   0.22
    23   1     0.04   0.02   0.03     0.17   0.10   0.15     0.37   0.21   0.33
    24   1     0.02  -0.02  -0.02     0.06  -0.09  -0.10     0.14  -0.21  -0.22
    25   1     0.03   0.03  -0.04     0.14   0.13  -0.15     0.31   0.31  -0.34
    26   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    27   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.00   0.01
    28   1     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    29   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    30   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    31   1    -0.01  -0.01  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    32   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    33   1     0.01  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    34   1    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    35   1     0.00  -0.00   0.00    -0.00   0.01  -0.01     0.00  -0.00   0.01
    36   1     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    37   1     0.00   0.00  -0.00    -0.01  -0.01   0.01     0.00   0.00  -0.01
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3125.5132              3125.9479              3126.0975
 Red. masses --      1.1101                 1.1101                 1.1101
 Frc consts  --      6.3894                 6.3909                 6.3915
 IR Inten    --      4.2602                 4.2249                 4.3967
 RamAct Fr= 1--     56.1709                55.2775                61.7518
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      8.0244                 7.8968                 8.8215
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--     34.6536                34.3949                38.4300
 Delta2 Fr= 1--      5.1021                 5.0291                 5.5945
 Raman1 Fr= 1--     224.684                221.110                247.007
 ROA1   Fr= 1--    3490.013               3462.839               3868.301
 CID1   Fr= 1--      15.533                 15.661                 15.661
 Raman2 Fr= 1--      96.292                 94.761                105.859
 ROA2   Fr= 1--     790.870                785.244                877.564
 CID2   Fr= 1--       8.213                  8.287                  8.290
 Raman3 Fr= 1--     192.585                189.523                211.717
 ROA3   Fr= 1--    3490.013               3462.839               3868.301
 CID3   Fr= 1--      18.122                 18.271                 18.271
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.04  -0.00  -0.05
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.04  -0.05
     3   7     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     4  45     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     6   7     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00    -0.02   0.04  -0.05     0.00  -0.00   0.00
     8   6    -0.00  -0.00   0.00     0.04   0.01  -0.05    -0.00  -0.00   0.00
     9   7     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   7    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    11   6     0.03  -0.03   0.05     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6     0.02   0.03   0.05     0.00   0.00   0.00     0.00   0.00   0.00
    13   7    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    14   1     0.00   0.01  -0.01    -0.13  -0.36   0.33     0.01   0.02  -0.02
    15   1     0.01  -0.00  -0.01    -0.34   0.20   0.30     0.02  -0.01  -0.02
    16   1     0.00   0.01  -0.01    -0.16  -0.34   0.32     0.01   0.02  -0.02
    17   1    -0.01   0.00  -0.01     0.38  -0.10   0.30    -0.03   0.01  -0.02
    18   1    -0.37  -0.06  -0.32    -0.01  -0.00  -0.01    -0.01  -0.00  -0.01
    19   1     0.00   0.39  -0.30     0.00   0.01  -0.01    -0.00   0.01  -0.01
    20   1    -0.38  -0.03  -0.33    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00
    21   1     0.10  -0.38  -0.31     0.00  -0.01  -0.01     0.00  -0.00  -0.00
    22   1     0.00  -0.01  -0.01    -0.01   0.02   0.02    -0.24   0.29   0.33
    23   1    -0.01  -0.00  -0.01     0.02   0.01   0.02     0.34   0.19   0.30
    24   1     0.00  -0.00  -0.00    -0.02   0.02   0.02    -0.22   0.31   0.33
    25   1     0.00   0.00  -0.00    -0.02  -0.02   0.02    -0.27  -0.27   0.30
    26   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    27   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.01
    28   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    29   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    30   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   1     0.01   0.01   0.01     0.00   0.00   0.00    -0.00  -0.00   0.00
    32   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    33   1     0.01  -0.01   0.01    -0.00   0.00   0.00     0.00  -0.00   0.00
    34   1    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    35   1     0.00  -0.00   0.00    -0.00   0.01  -0.01     0.00  -0.00   0.00
    36   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    37   1    -0.00  -0.00   0.00     0.01   0.01  -0.01    -0.00  -0.00   0.00
                     94                     95                     96
                      A                      A                      A
 Frequencies --   3430.8540              3431.3797              3431.6221
 Red. masses --      1.0529                 1.0529                 1.0529
 Frc consts  --      7.3022                 7.3044                 7.3054
 IR Inten    --    171.8403                42.0467                29.9404
 RamAct Fr= 1--      2.6761                20.9249                 2.0121
  Dep-P Fr= 1--      0.2689                 0.0926                 0.7306
  Dep-U Fr= 1--      0.4238                 0.1695                 0.8443
 Alpha2 Fr= 1--      0.0301                 0.3730                 0.0007
 Beta2  Fr= 1--      0.1890                 0.5912                 0.2831
 AlphaG Fr= 1--     -0.0043                -0.0679                -0.0004
 Gamma2 Fr= 1--      0.4143                 8.1913                10.4239
 Delta2 Fr= 1--     -0.1572                -0.0316                -1.4180
 Raman1 Fr= 1--      10.705                 83.700                  8.048
 ROA1   Fr= 1--      34.746                785.348                955.322
 CID1   Fr= 1--       3.246                  9.383                118.699
 Raman2 Fr= 1--       2.268                  7.095                  3.398
 ROA2   Fr= 1--      11.202                196.843                261.518
 CID2   Fr= 1--       4.938                 27.744                 76.970
 Raman3 Fr= 1--       4.537                 14.190                  6.795
 ROA3   Fr= 1--      34.746                785.348                955.322
 CID3   Fr= 1--       7.659                 55.345                140.585
 RC180  Fr= 1--      -0.152                 -0.661                  0.689
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   7    -0.00   0.00  -0.01    -0.00   0.00  -0.02     0.00  -0.00   0.01
     4  45     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     5   7    -0.00   0.00  -0.02     0.00  -0.00   0.01     0.00  -0.00   0.01
     6   7    -0.00  -0.00  -0.02    -0.00  -0.01  -0.04     0.00   0.01   0.03
     7   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     9   7    -0.00  -0.00  -0.02    -0.00  -0.00  -0.01    -0.00  -0.01  -0.03
    10   7     0.01   0.00  -0.04    -0.01  -0.00   0.03    -0.00  -0.00   0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   7     0.00   0.00  -0.02     0.00   0.00  -0.01     0.01   0.00  -0.04
    14   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.01   0.01
    15   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   1    -0.00  -0.00   0.00    -0.00  -0.00   0.01     0.00   0.00  -0.01
    17   1     0.00  -0.00   0.00     0.00  -0.00   0.01    -0.00   0.00  -0.00
    18   1     0.01   0.00   0.01    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00
    19   1     0.00  -0.01   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    20   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.01  -0.00   0.01
    21   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    22   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    24   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    25   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    26   1     0.16  -0.16   0.05    -0.10   0.10  -0.03    -0.04   0.04  -0.01
    27   1    -0.11   0.10   0.24     0.07  -0.07  -0.16     0.03  -0.03  -0.06
    28   1     0.07  -0.13   0.03     0.11  -0.20   0.05    -0.07   0.12  -0.03
    29   1    -0.05   0.09   0.16    -0.07   0.14   0.25     0.04  -0.08  -0.15
    30   1    -0.19  -0.05   0.04    -0.09  -0.02   0.02    -0.38  -0.10   0.09
    31   1     0.14   0.04   0.22     0.07   0.02   0.11     0.26   0.08   0.43
    32   1    -0.40   0.00   0.09     0.34  -0.00  -0.07     0.10  -0.00  -0.02
    33   1     0.29  -0.01   0.45    -0.24   0.01  -0.37    -0.07   0.00  -0.12
    34   1     0.06   0.22   0.05     0.10   0.36   0.08    -0.07  -0.25  -0.06
    35   1    -0.04  -0.16   0.26    -0.06  -0.26   0.42     0.04   0.18  -0.29
    36   1     0.09   0.15   0.04     0.08   0.14   0.04     0.16   0.28   0.07
    37   1    -0.07  -0.11   0.20    -0.06  -0.09   0.17    -0.12  -0.19   0.36
                     97                     98                     99
                      A                      A                      A
 Frequencies --   3432.5865              3432.6909              3433.1997
 Red. masses --      1.0530                 1.0530                 1.0532
 Frc consts  --      7.3099                 7.3107                 7.3137
 IR Inten    --     12.8414                 0.8203                 1.2218
 RamAct Fr= 1--     21.7696                25.3276               455.2559
  Dep-P Fr= 1--      0.6841                 0.5217                 0.0179
  Dep-U Fr= 1--      0.8124                 0.6857                 0.0352
 Alpha2 Fr= 1--      0.0252                 0.1126                 9.7008
 Beta2  Fr= 1--      2.9477                 2.8946                 2.6744
 AlphaG Fr= 1--     -0.0050                -0.0208                -1.6166
 Gamma2 Fr= 1--     -3.9298                -3.2620                -1.8190
 Delta2 Fr= 1--     -0.2230                -1.8461                -2.6949
 Raman1 Fr= 1--      87.078                101.310               1821.024
 ROA1   Fr= 1--    -384.395               -372.231               -260.862
 CID1   Fr= 1--      -4.414                 -3.674                 -0.143
 Raman2 Fr= 1--      35.373                 34.735                 32.093
 ROA2   Fr= 1--     -92.530                -63.521                -22.097
 CID2   Fr= 1--      -2.616                 -1.829                 -0.689
 Raman3 Fr= 1--      70.746                 69.470                 64.185
 ROA3   Fr= 1--    -384.395               -372.231               -260.862
 CID3   Fr= 1--      -5.433                 -5.358                 -4.064
 RC180  Fr= 1--       0.625                  0.371                 -0.930
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   7    -0.00   0.00  -0.03     0.00  -0.01   0.03    -0.00   0.01  -0.03
     4  45     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   7    -0.01   0.01  -0.04    -0.00   0.00  -0.01     0.00  -0.00   0.03
     6   7     0.00   0.00   0.02    -0.00  -0.00  -0.01     0.00   0.00   0.02
     7   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     9   7    -0.00  -0.00  -0.00    -0.00  -0.01  -0.04    -0.00  -0.00  -0.02
    10   7    -0.00  -0.00   0.02    -0.00  -0.00   0.00     0.00   0.00  -0.02
    11   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    12   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    13   7    -0.00  -0.00   0.01    -0.01  -0.00   0.03    -0.00  -0.00   0.02
    14   1    -0.00  -0.00   0.00    -0.00  -0.01   0.01    -0.00  -0.00   0.00
    15   1    -0.00   0.00   0.00    -0.00   0.00   0.01    -0.00   0.00   0.00
    16   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    19   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    20   1    -0.00   0.00  -0.00    -0.01   0.00  -0.01    -0.00   0.00  -0.00
    21   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22   1    -0.00   0.00   0.00     0.00  -0.00  -0.01    -0.00   0.00   0.01
    23   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    24   1    -0.00   0.01   0.01    -0.00   0.00   0.00     0.00  -0.00  -0.01
    25   1    -0.00  -0.00   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    26   1     0.31  -0.31   0.10     0.08  -0.08   0.03    -0.20   0.20  -0.06
    27   1    -0.23   0.21   0.49    -0.06   0.06   0.13     0.15  -0.14  -0.31
    28   1     0.13  -0.24   0.06    -0.14   0.25  -0.06     0.16  -0.29   0.07
    29   1    -0.09   0.17   0.30     0.09  -0.18  -0.31    -0.11   0.21   0.37
    30   1     0.07   0.02  -0.02     0.31   0.09  -0.07     0.21   0.06  -0.05
    31   1    -0.05  -0.02  -0.08    -0.22  -0.07  -0.36    -0.15  -0.05  -0.24
    32   1     0.21  -0.00  -0.05     0.03  -0.00  -0.01    -0.15   0.00   0.03
    33   1    -0.15   0.01  -0.24    -0.02   0.00  -0.03     0.11  -0.01   0.18
    34   1    -0.05  -0.18  -0.04     0.03   0.11   0.03    -0.05  -0.20  -0.05
    35   1     0.03   0.13  -0.21    -0.02  -0.08   0.13     0.03   0.15  -0.24
    36   1     0.03   0.04   0.01     0.19   0.32   0.08     0.12   0.20   0.05
    37   1    -0.02  -0.03   0.06    -0.15  -0.23   0.42    -0.09  -0.14   0.26
                    100                    101                    102
                      A                      A                      A
 Frequencies --   3481.5083              3482.0571              3482.1925
 Red. masses --      1.0924                 1.0923                 1.0922
 Frc consts  --      7.8013                 7.8032                 7.8031
 IR Inten    --     31.4116                33.8102                24.6513
 RamAct Fr= 1--     32.5098                23.2939                28.1246
  Dep-P Fr= 1--      0.6113                 0.5788                 0.7485
  Dep-U Fr= 1--      0.7587                 0.7332                 0.8562
 Alpha2 Fr= 1--      0.0829                 0.0748                 0.0007
 Beta2  Fr= 1--      4.1110                 2.8465                 4.0132
 AlphaG Fr= 1--      0.3063                 0.2841                 0.0039
 Gamma2 Fr= 1--      7.7502                17.2613               -43.9627
 Delta2 Fr= 1--     -0.1640                 1.6085               -17.0644
 Raman1 Fr= 1--     130.039                 93.176                112.499
 ROA1   Fr= 1--     738.769               1708.558              -4766.479
 CID1   Fr= 1--       5.681                 18.337                -42.369
 Raman2 Fr= 1--      49.333                 34.159                 48.158
 ROA2   Fr= 1--     187.315                401.404               -918.589
 CID2   Fr= 1--       3.797                 11.751                -19.074
 Raman3 Fr= 1--      98.665                 68.317                 96.316
 ROA3   Fr= 1--     738.769               1708.558              -4766.479
 CID3   Fr= 1--       7.488                 25.009                -49.488
 RC180  Fr= 1--       0.517                  0.466                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     3   7     0.00  -0.00  -0.00    -0.01   0.02   0.01    -0.02   0.03   0.01
     4  45     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     5   7     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   7    -0.00  -0.02   0.01     0.01   0.03  -0.01    -0.02  -0.06   0.02
     7   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     8   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     9   7     0.00   0.00  -0.00     0.01   0.02  -0.01    -0.00  -0.01   0.00
    10   7    -0.07   0.00  -0.02    -0.01   0.00  -0.00     0.01  -0.00   0.00
    11   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    12   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   7    -0.00  -0.00  -0.00    -0.06  -0.02  -0.02    -0.02  -0.01  -0.01
    14   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    15   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   1     0.00   0.00  -0.00    -0.00  -0.01   0.00     0.01   0.01  -0.01
    17   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1     0.01   0.00   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   1     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    20   1     0.00  -0.00  -0.00     0.01   0.00   0.01     0.00   0.00   0.00
    21   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    22   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    23   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    24   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    25   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    26   1    -0.03   0.03  -0.01    -0.02   0.02  -0.01     0.02  -0.03   0.01
    27   1    -0.01   0.01   0.03    -0.01   0.01   0.02     0.01  -0.01  -0.02
    28   1    -0.01   0.02  -0.01     0.10  -0.17   0.05     0.18  -0.31   0.10
    29   1    -0.00   0.01   0.02     0.03  -0.07  -0.13     0.06  -0.13  -0.25
    30   1     0.00   0.00  -0.00     0.62   0.16  -0.17     0.21   0.06  -0.06
    31   1     0.00   0.00   0.00     0.24   0.08   0.44     0.09   0.03   0.16
    32   1     0.74   0.00  -0.20     0.06  -0.00  -0.02    -0.13   0.00   0.04
    33   1     0.29  -0.02   0.51     0.03  -0.00   0.04    -0.05   0.00  -0.09
    34   1     0.05   0.17   0.05    -0.08  -0.30  -0.08     0.16   0.60   0.17
    35   1     0.01   0.07  -0.12    -0.02  -0.12   0.21     0.05   0.24  -0.42
    36   1    -0.03  -0.05  -0.01    -0.09  -0.16  -0.05     0.03   0.06   0.02
    37   1    -0.01  -0.02   0.03    -0.04  -0.06   0.13     0.01   0.02  -0.04
                    103                    104                    105
                      A                      A                      A
 Frequencies --   3482.2279              3482.5349              3482.6118
 Red. masses --      1.0924                 1.0923                 1.0922
 Frc consts  --      7.8045                 7.8050                 7.8051
 IR Inten    --     28.2080                53.5974                30.2478
 RamAct Fr= 1--     41.8538                 9.4445                33.2448
  Dep-P Fr= 1--      0.5753                 0.7105                 0.7341
  Dep-U Fr= 1--      0.7304                 0.8307                 0.8466
 Alpha2 Fr= 1--      0.1375                 0.0065                 0.0091
 Beta2  Fr= 1--      5.0953                 1.3076                 4.6910
 AlphaG Fr= 1--      0.5188                 0.0239                 0.0359
 Gamma2 Fr= 1--     35.0760                -5.4723               -36.7873
 Delta2 Fr= 1--      7.1834                 6.7746                 2.6477
 Raman1 Fr= 1--     167.415                 37.778                132.979
 ROA1   Fr= 1--    3597.160               -308.553              -3446.854
 CID1   Fr= 1--      21.486                 -8.168                -25.920
 Raman2 Fr= 1--      61.143                 15.692                 56.293
 ROA2   Fr= 1--     784.356               -185.532               -904.077
 CID2   Fr= 1--      12.828                -11.824                -16.060
 Raman3 Fr= 1--     122.286                 31.384                112.585
 ROA3   Fr= 1--    3597.160               -308.553              -3446.854
 CID3   Fr= 1--      29.416                 -9.832                -30.616
 RC180  Fr= 1--       0.461                  0.661                  0.693
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   7    -0.00   0.01   0.00     0.03  -0.05  -0.02    -0.02   0.03   0.01
     4  45     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     5   7     0.03  -0.03  -0.01     0.03  -0.03  -0.01     0.04  -0.03  -0.01
     6   7     0.00   0.01  -0.00    -0.01  -0.02   0.01     0.00   0.01  -0.00
     7   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     9   7    -0.03  -0.05   0.02     0.01   0.02  -0.01     0.02   0.03  -0.01
    10   7    -0.00   0.00  -0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
    11   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   7    -0.01  -0.00  -0.00    -0.02  -0.01  -0.01     0.03   0.01   0.01
    14   1     0.00   0.01  -0.01    -0.00  -0.00   0.00    -0.00  -0.01   0.01
    15   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    18   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    19   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    20   1     0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
    21   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    22   1     0.00  -0.00  -0.00    -0.01   0.01   0.01     0.01  -0.00  -0.01
    23   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    24   1    -0.01   0.01   0.01    -0.00   0.01   0.01    -0.00   0.01   0.01
    25   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1    -0.31   0.31  -0.12    -0.28   0.28  -0.11    -0.34   0.34  -0.13
    27   1    -0.13   0.12   0.30    -0.12   0.11   0.27    -0.14   0.13   0.33
    28   1     0.03  -0.05   0.02    -0.26   0.44  -0.14     0.19  -0.33   0.10
    29   1     0.01  -0.02  -0.04    -0.09   0.19   0.36     0.07  -0.14  -0.27
    30   1     0.09   0.02  -0.02     0.20   0.05  -0.05    -0.26  -0.07   0.07
    31   1     0.03   0.01   0.06     0.08   0.03   0.14    -0.10  -0.03  -0.19
    32   1     0.04   0.00  -0.01    -0.12   0.00   0.03    -0.02   0.00   0.01
    33   1     0.02  -0.00   0.03    -0.05   0.00  -0.08    -0.01   0.00  -0.02
    34   1    -0.03  -0.10  -0.03     0.06   0.24   0.07    -0.02  -0.06  -0.02
    35   1    -0.01  -0.04   0.06     0.02   0.09  -0.17    -0.01  -0.03   0.04
    36   1     0.30   0.53   0.17    -0.11  -0.19  -0.06    -0.18  -0.31  -0.10
    37   1     0.13   0.20  -0.42    -0.05  -0.07   0.15    -0.08  -0.12   0.24

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  7 and mass  14.00307
 Atom     4 has atomic number 45 and mass 102.90480
 Atom     5 has atomic number  7 and mass  14.00307
 Atom     6 has atomic number  7 and mass  14.00307
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  7 and mass  14.00307
 Atom    10 has atomic number  7 and mass  14.00307
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  7 and mass  14.00307
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Atom    35 has atomic number  1 and mass   1.00783
 Atom    36 has atomic number  1 and mass   1.00783
 Atom    37 has atomic number  1 and mass   1.00783
 Molecular mass:   283.11104 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  2545.129212547.041233955.93264
           X            1.00000  -0.00201  -0.00001
           Y            0.00201   1.00000  -0.00001
           Z            0.00001   0.00001   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.03403     0.03401     0.02189
 Rotational constants (GHZ):           0.70910     0.70856     0.45621
 Zero-point vibrational energy     926060.3 (Joules/Mol)
                                  221.33371 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    120.10   123.15   167.12   205.89   206.96
          (Kelvin)            234.94   308.55   309.38   317.78   353.19
                              433.18   434.00   440.24   471.24   472.31
                              578.94   585.44   585.86   666.53   667.03
                              720.66   771.60   771.81   816.43   991.54
                              992.71  1005.01  1030.38  1109.35  1110.70
                             1246.58  1246.65  1250.02  1250.24  1250.40
                             1263.31  1410.93  1415.00  1415.14  1440.90
                             1440.94  1448.56  1510.23  1510.33  1510.61
                             1603.28  1603.61  1616.34  1685.36  1686.03
                             1708.83  1759.55  1760.50  1794.23  1858.18
                             1858.79  1870.24  1914.11  1914.32  1933.53
                             1938.74  1938.98  1945.40  2020.89  2020.99
                             2026.22  2075.21  2075.25  2081.36  2162.49
                             2162.69  2163.35  2163.99  2164.59  2165.07
                             2370.23  2383.78  2384.28  2389.63  2397.21
                             2397.69  4416.09  4417.07  4417.39  4424.04
                             4424.68  4425.12  4482.08  4482.45  4482.61
                             4496.92  4497.54  4497.76  4936.23  4936.99
                             4937.34  4938.73  4938.88  4939.61  5009.11
                             5009.90  5010.10  5010.15  5010.59  5010.70
 
 Zero-point correction=                           0.352718 (Hartree/Particle)
 Thermal correction to Energy=                    0.367705
 Thermal correction to Enthalpy=                  0.368649
 Thermal correction to Gibbs Free Energy=         0.312298
 Sum of electronic and zero-point Energies=           -681.283374
 Sum of electronic and thermal Energies=              -681.268387
 Sum of electronic and thermal Enthalpies=            -681.267443
 Sum of electronic and thermal Free Energies=         -681.323794
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  230.738             60.508            118.601
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.820
 Rotational               0.889              2.981             31.617
 Vibrational            228.961             54.546             44.164
 Vibration     1          0.600              1.961              3.807
 Vibration     2          0.601              1.959              3.758
 Vibration     3          0.608              1.936              3.163
 Vibration     4          0.616              1.910              2.762
 Vibration     5          0.616              1.909              2.752
 Vibration     6          0.623              1.887              2.511
 Vibration     7          0.644              1.819              2.005
 Vibration     8          0.645              1.818              2.001
 Vibration     9          0.648              1.809              1.952
 Vibration    10          0.660              1.770              1.763
 Vibration    11          0.693              1.672              1.411
 Vibration    12          0.694              1.671              1.408
 Vibration    13          0.696              1.662              1.384
 Vibration    14          0.711              1.620              1.272
 Vibration    15          0.711              1.619              1.269
 Vibration    16          0.768              1.465              0.954
 Vibration    17          0.772              1.455              0.938
 Vibration    18          0.772              1.455              0.937
 Vibration    19          0.821              1.332              0.757
 Vibration    20          0.821              1.331              0.756
 Vibration    21          0.856              1.248              0.656
 Vibration    22          0.891              1.170              0.573
 Vibration    23          0.891              1.169              0.573
 Vibration    24          0.923              1.102              0.509
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.225495-143       -143.646863       -330.759126
 Total V=0       0.390735D+19         18.591883         42.809392
 Vib (Bot)       0.664362-158       -158.177595       -364.217373
 Vib (Bot)    1  0.246572D+01          0.391944          0.902483
 Vib (Bot)    2  0.240400D+01          0.380934          0.877133
 Vib (Bot)    3  0.176086D+01          0.245725          0.565803
 Vib (Bot)    4  0.141970D+01          0.152197          0.350446
 Vib (Bot)    5  0.141211D+01          0.149868          0.345085
 Vib (Bot)    6  0.123677D+01          0.092291          0.212507
 Vib (Bot)    7  0.924492D+00         -0.034097         -0.078511
 Vib (Bot)    8  0.921771D+00         -0.035377         -0.081459
 Vib (Bot)    9  0.895244D+00         -0.048058         -0.110659
 Vib (Bot)   10  0.796748D+00         -0.098679         -0.227217
 Vib (Bot)   11  0.631273D+00         -0.199783         -0.460017
 Vib (Bot)   12  0.629872D+00         -0.200747         -0.462238
 Vib (Bot)   13  0.619423D+00         -0.208013         -0.478968
 Vib (Bot)   14  0.571343D+00         -0.243103         -0.559765
 Vib (Bot)   15  0.569790D+00         -0.244285         -0.562488
 Vib (Bot)   16  0.442176D+00         -0.354404         -0.816046
 Vib (Bot)   17  0.435812D+00         -0.360700         -0.830543
 Vib (Bot)   18  0.435406D+00         -0.361105         -0.831475
 Vib (Bot)   19  0.366159D+00         -0.436330         -1.004688
 Vib (Bot)   20  0.365781D+00         -0.436778         -1.005719
 Vib (Bot)   21  0.327867D+00         -0.484302         -1.115147
 Vib (Bot)   22  0.296462D+00         -0.528032         -1.215838
 Vib (Bot)   23  0.296342D+00         -0.528206         -1.216240
 Vib (Bot)   24  0.271905D+00         -0.565582         -1.302301
 Vib (V=0)       0.115120D+05          4.061151          9.351145
 Vib (V=0)    1  0.301590D+01          0.479417          1.103899
 Vib (V=0)    2  0.295544D+01          0.470623          1.083649
 Vib (V=0)    3  0.233047D+01          0.367444          0.846071
 Vib (V=0)    4  0.200517D+01          0.302152          0.695731
 Vib (V=0)    5  0.199802D+01          0.300599          0.692155
 Vib (V=0)    6  0.183402D+01          0.263404          0.606511
 Vib (V=0)    7  0.155104D+01          0.190623          0.438926
 Vib (V=0)    8  0.154865D+01          0.189952          0.437382
 Vib (V=0)    9  0.152541D+01          0.183386          0.422262
 Vib (V=0)   10  0.144064D+01          0.158556          0.365089
 Vib (V=0)   11  0.130530D+01          0.115710          0.266432
 Vib (V=0)   12  0.130420D+01          0.115345          0.265591
 Vib (V=0)   13  0.129604D+01          0.112619          0.259316
 Vib (V=0)   14  0.125923D+01          0.100106          0.230502
 Vib (V=0)   15  0.125806D+01          0.099703          0.229574
 Vib (V=0)   16  0.116747D+01          0.067247          0.154841
 Vib (V=0)   17  0.116327D+01          0.065682          0.151239
 Vib (V=0)   18  0.116301D+01          0.065582          0.151009
 Vib (V=0)   19  0.111974D+01          0.049116          0.113093
 Vib (V=0)   20  0.111951D+01          0.049029          0.112894
 Vib (V=0)   21  0.109791D+01          0.040567          0.093409
 Vib (V=0)   22  0.108128D+01          0.033939          0.078148
 Vib (V=0)   23  0.108122D+01          0.033915          0.078092
 Vib (V=0)   24  0.106915D+01          0.029039          0.066865
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.187236D+09          8.272389         19.047880
 Rotational      0.181277D+07          6.258343         14.410367
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000014083    0.000001070   -0.000028809
      2        6           0.000003271   -0.000003666    0.000013123
      3        7           0.000040289    0.000003240   -0.000023439
      4       45          -0.000092645   -0.000040631   -0.000005690
      5        7           0.000020917   -0.000036648    0.000073159
      6        7          -0.000011403    0.000011425   -0.000002752
      7        6          -0.000002563   -0.000008075   -0.000006494
      8        6           0.000015348   -0.000004396    0.000016935
      9        7           0.000005582    0.000007291   -0.000078653
     10        7          -0.000017538    0.000033977   -0.000077852
     11        6          -0.000021644    0.000017925    0.000028544
     12        6          -0.000017572    0.000000981    0.000016120
     13        7           0.000074341   -0.000009136    0.000009715
     14        1          -0.000009784   -0.000002835    0.000048362
     15        1          -0.000000105   -0.000000451    0.000001678
     16        1          -0.000007679    0.000000407   -0.000000591
     17        1          -0.000000667   -0.000001352    0.000001765
     18        1           0.000003844   -0.000004862    0.000008021
     19        1           0.000000915   -0.000000949   -0.000002012
     20        1           0.000001755    0.000009231   -0.000018427
     21        1           0.000001133    0.000000281   -0.000002184
     22        1           0.000006796    0.000026127    0.000020735
     23        1          -0.000000621   -0.000001091   -0.000000406
     24        1           0.000029213   -0.000011968   -0.000051467
     25        1          -0.000000084    0.000001632    0.000000053
     26        1           0.000017803    0.000016957   -0.000024197
     27        1          -0.000013330   -0.000018114    0.000004468
     28        1           0.000024182   -0.000000748    0.000025622
     29        1           0.000002504   -0.000018473    0.000015697
     30        1          -0.000002180   -0.000009151   -0.000010645
     31        1          -0.000000436    0.000017709   -0.000020059
     32        1           0.000010304   -0.000010542    0.000020328
     33        1          -0.000001202    0.000024548    0.000002895
     34        1          -0.000005544   -0.000035706    0.000002755
     35        1           0.000006964    0.000034475   -0.000015904
     36        1          -0.000033009    0.000003133    0.000035024
     37        1          -0.000013073    0.000008383    0.000024584
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000092645 RMS     0.000023815
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.158796D+03 -0.346001D-02 -0.135859D-03
      2  -0.346001D-02  0.158741D+03  0.384220D-02
      3  -0.135859D-03  0.384220D-02  0.122187D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.345509D+01 -0.416354D-01 -0.175621D-01
      2   0.139178D-01  0.342677D+01 -0.989967D-02
      3   0.460833D-01  0.123918D-01 -0.590801D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.347695D+02 -0.858575D+02 -0.773154D-02
      2  -0.348016D+02  0.858744D+02  0.977656D-02
      3   0.321422D-01 -0.168813D-01 -0.204503D-02
      4  -0.858294D+02 -0.348248D+02  0.396315D-02
      5  -0.104239D-01  0.619632D+01  0.168506D-01
      6  -0.618241D+01  0.113362D-02 -0.127802D-01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.102955D+01  0.243966D+01 -0.179546D+01  0.851952D+00  0.114646D+01
      2   0.243966D+01  0.270966D+01 -0.368190D+01  0.114646D+01  0.368422D+01
      3  -0.179546D+01 -0.368190D+01 -0.844052D-01 -0.365848D+01 -0.643669D+00
                 6             7             8             9            10 
      1  -0.365848D+01 -0.199446D+01 -0.487975D+01  0.433418D+00  0.494851D+01
      2  -0.643669D+00 -0.487975D+01 -0.144050D+01  0.292416D+01  0.703745D+00
      3   0.179335D+01  0.433418D+00  0.292416D+01 -0.333179D+00  0.260019D+01
                11            12            13            14            15 
      1   0.703745D+00  0.260019D+01  0.261168D+01  0.153846D+01  0.345208D+01
      2   0.432818D+00  0.344053D+01  0.153846D+01 -0.215900D+00 -0.166349D+00
      3   0.344053D+01  0.170667D+01  0.345208D+01 -0.166349D+00 -0.560955D+00
                16            17            18            19            20 
      1   0.396814D+01  0.433452D+01  0.293810D+01 -0.106776D+02 -0.225669D+01
      2   0.433452D+01 -0.544747D+00 -0.357567D+00 -0.225669D+01  0.307515D+00
      3   0.293810D+01 -0.357567D+00  0.333798D+00 -0.453720D+01 -0.242072D+01
                21            22            23            24            25 
      1  -0.453720D+01 -0.493546D+01 -0.844119D+00 -0.303934D+01 -0.306968D+01
      2  -0.242072D+01 -0.844119D+00 -0.155938D+01  0.964304D-02 -0.144031D+01
      3  -0.185264D+01 -0.303934D+01  0.964304D-02  0.256410D+00 -0.221109D+01
                26            27            28            29            30 
      1  -0.144031D+01 -0.221109D+01 -0.706157D+00  0.181463D+01  0.171367D-01
      2   0.123245D+00  0.992621D+00  0.181463D+01  0.732962D+00 -0.177658D+01
      3   0.992621D+00  0.796084D+00  0.171367D-01 -0.177658D+01 -0.317203D-02
                31            32            33            34            35 
      1   0.182918D+01  0.744037D+00  0.180244D+01 -0.297829D-01 -0.466736D-02
      2   0.744037D+00 -0.183919D+01 -0.143912D-02 -0.466736D-02 -0.243223D-01
      3   0.180244D+01 -0.143912D-02 -0.402019D-02  0.106021D-02 -0.172174D-02
                36            37            38            39            40 
      1   0.106021D-02 -0.256121D+01 -0.276410D+01  0.169478D+01 -0.974887D+00
      2  -0.172174D-02 -0.276410D+01 -0.641403D+01  0.380236D+01 -0.414624D+01
      3  -0.352229D-03  0.169478D+01  0.380236D+01 -0.239020D+00  0.319359D+01
                41            42            43            44            45 
      1  -0.414624D+01  0.319359D+01  0.863086D+00  0.206702D+01  0.367625D+00
      2  -0.730807D+01  0.281662D+01  0.206702D+01  0.213086D+01 -0.239850D+01
      3   0.281662D+01 -0.185624D+01  0.367625D+00 -0.239850D+01 -0.793094D+00
                46            47            48            49            50 
      1   0.119874D+02  0.727969D+00  0.557945D+01 -0.211899D+01  0.902140D-01
      2   0.727969D+00 -0.332389D+00 -0.958455D+00  0.902140D-01 -0.148296D+01
      3   0.557945D+01 -0.958455D+00  0.173042D+01 -0.156176D+01 -0.106247D+01
                51            52            53            54            55 
      1  -0.156176D+01  0.359120D+01 -0.475463D+00  0.189307D+01 -0.564462D+01
      2  -0.106247D+01 -0.475463D+00 -0.622894D+00  0.152253D+01 -0.317534D+00
      3   0.726949D+00  0.189307D+01  0.152253D+01 -0.790891D+00 -0.411582D+01
                56            57            58            59            60 
      1  -0.317534D+00 -0.411582D+01  0.182273D+01 -0.757206D+00  0.233192D+01
      2  -0.169193D+00  0.231513D+01 -0.757206D+00 -0.860470D+00  0.168164D+01
      3   0.231513D+01 -0.150933D+01  0.233192D+01  0.168164D+01 -0.970129D+00
                61            62            63            64            65 
      1  -0.580342D+01  0.266731D+01 -0.275219D+01 -0.267731D+01  0.288203D+01
      2   0.266731D+01  0.238438D+01 -0.108444D+01  0.288203D+01 -0.209938D+01
      3  -0.275219D+01 -0.108444D+01 -0.337906D+00  0.351506D+01 -0.292393D+01
                66            67            68            69            70 
      1   0.351506D+01  0.962034D+00 -0.995693D+00 -0.290857D+01  0.433717D+01
      2  -0.292393D+01 -0.995693D+00  0.249538D+01 -0.108440D+01 -0.411471D+01
      3  -0.372378D+00 -0.290857D+01 -0.108440D+01  0.175351D+01 -0.116591D+01
                71            72            73            74            75 
      1  -0.411471D+01 -0.116591D+01  0.490298D+01 -0.457073D+01 -0.349385D+01
      2  -0.925290D+00  0.271802D+01 -0.457073D+01  0.588138D+01  0.363757D+01
      3   0.271802D+01  0.337413D+00 -0.349385D+01  0.363757D+01  0.701944D+00
                76            77            78            79            80 
      1  -0.225096D+01  0.415279D+01  0.302590D+01 -0.192592D+01  0.210250D+01
      2   0.415279D+01 -0.347799D+01 -0.102816D+01  0.210250D+01 -0.102848D+01
      3   0.302590D+01 -0.102816D+01 -0.173030D+01  0.251150D+00 -0.240956D+01
                81            82            83            84            85 
      1   0.251150D+00 -0.121494D+01  0.911752D+00  0.123024D+01  0.125405D+01
      2  -0.240956D+01  0.911752D+00  0.779935D+00 -0.293775D+00  0.365780D+01
      3   0.790918D+00  0.123024D+01 -0.293775D+00  0.114831D+01 -0.909134D+00
                86            87            88            89            90 
      1   0.365780D+01 -0.909134D+00  0.555716D+00 -0.658446D+00  0.196320D+01
      2   0.109424D+02 -0.574918D+01 -0.658446D+00 -0.353115D+01  0.141807D+01
      3  -0.574918D+01  0.147094D+01  0.196320D+01  0.141807D+01  0.794830D+00
                91            92            93            94            95 
      1  -0.119831D+01 -0.408338D+00 -0.245750D+01 -0.405702D+00 -0.162271D+01
      2  -0.408338D+00  0.596487D+00 -0.541448D+00 -0.162271D+01 -0.545490D+01
      3  -0.245750D+01 -0.541448D+00 -0.133830D+01 -0.523623D+00  0.489121D+01
                96            97            98            99           100 
      1  -0.523623D+00 -0.316825D+01 -0.219990D+00 -0.177877D+01  0.162485D+01
      2   0.489121D+01 -0.219990D+00  0.659199D+01 -0.236610D+01 -0.587841D+00
      3  -0.120292D+01 -0.177877D+01 -0.236610D+01  0.328654D+00  0.224219D+01
               101           102           103           104           105 
      1  -0.587841D+00  0.224219D+01 -0.114614D+01  0.258947D+01  0.135290D+01
      2   0.439519D+00  0.133828D+01  0.258947D+01 -0.436087D+01 -0.467889D+01
      3   0.133828D+01  0.160028D+01  0.135290D+01 -0.467889D+01 -0.816442D+00
               106           107           108           109           110 
      1   0.264702D+01  0.220841D+01  0.232230D+01 -0.326437D+00  0.265895D+01
      2   0.220841D+01 -0.606520D+01 -0.183264D+01  0.265895D+01 -0.236024D+01
      3   0.232230D+01 -0.183264D+01 -0.326959D+00 -0.486387D+00 -0.193564D+01
               111           112           113           114           115 
      1  -0.486387D+00  0.371913D+01 -0.506322D+01 -0.254841D+01  0.105860D-01
      2  -0.193564D+01 -0.506322D+01  0.819656D+01  0.501019D+01 -0.158553D+01
      3  -0.149286D+01 -0.254841D+01  0.501019D+01  0.113448D+01 -0.226734D+01
               116           117           118           119           120 
      1  -0.158553D+01 -0.226734D+01 -0.468594D+00 -0.947063D+00  0.279841D+00
      2   0.293715D+01  0.875722D+00 -0.947063D+00 -0.401263D+00  0.418793D+00
      3   0.875722D+00 -0.800836D+00  0.279841D+00  0.418793D+00 -0.274046D+00
               121           122           123           124           125 
      1  -0.146527D+01  0.552427D+00  0.109313D+00  0.741454D+00  0.261069D+00
      2   0.552427D+00 -0.510890D+01  0.163596D+01  0.261069D+00  0.276812D+01
      3   0.109313D+00  0.163596D+01 -0.148466D+01  0.255377D+00 -0.200862D+01
               126           127           128           129           130 
      1   0.255377D+00  0.695771D+01 -0.337278D+01 -0.242705D+01 -0.269683D+01
      2  -0.200862D+01 -0.337278D+01  0.280268D+01  0.143748D+01  0.278074D+01
      3   0.210506D+01 -0.242705D+01  0.143748D+01  0.174381D+01  0.134967D+01
               131           132           133           134           135 
      1   0.278074D+01  0.134967D+01 -0.399193D+01  0.284597D+01  0.278431D+01
      2  -0.348352D+01 -0.119633D+01  0.284597D+01 -0.209004D+01 -0.219569D+01
      3  -0.119633D+01 -0.119286D+01  0.278431D+01 -0.219569D+01 -0.267223D+01
               136           137           138           139           140 
      1   0.308803D+01  0.131154D+01 -0.699433D+00  0.234785D+01  0.125957D+01
      2   0.131154D+01  0.957211D+00 -0.525017D+00  0.125957D+01  0.289514D+01
      3  -0.699433D+00 -0.525017D+00  0.861152D+00 -0.831390D+00 -0.121602D+01
               141           142           143           144           145 
      1  -0.831390D+00 -0.149603D+01 -0.101384D+01  0.160484D+01  0.997184D+01
      2  -0.121602D+01 -0.101384D+01 -0.200463D+01  0.123228D+01 -0.122075D+01
      3   0.123830D+01  0.160484D+01  0.123228D+01 -0.210218D+01  0.320127D+01
               146           147           148           149           150 
      1  -0.122075D+01  0.320127D+01 -0.171424D+01  0.175531D+01 -0.671660D+00
      2   0.129155D+01 -0.583137D+00  0.175531D+01 -0.867779D+00  0.422688D+00
      3  -0.583137D+00  0.207548D+01 -0.671660D+00  0.422688D+00 -0.398061D+00
               151           152           153           154           155 
      1   0.587743D+01 -0.974536D+00  0.351955D+01  0.383014D+01  0.135218D+01
      2  -0.974536D+00  0.202556D+00 -0.430730D+00  0.135218D+01  0.228443D+01
      3   0.351955D+01 -0.430730D+00  0.267315D+01  0.152583D+01  0.609640D+00
               156           157           158           159           160 
      1   0.152583D+01  0.788601D+00  0.136231D+01  0.300438D+00  0.248715D+01
      2   0.609640D+00  0.136231D+01  0.174397D+01  0.394287D+00  0.745462D+00
      3   0.142245D+01  0.300438D+00  0.394287D+00  0.506575D+00  0.161345D+01
               161           162           163           164           165 
      1   0.745462D+00  0.161345D+01  0.303152D+00  0.155629D+01 -0.297820D+00
      2   0.102422D+01  0.122568D+01  0.155629D+01  0.178968D+00 -0.122953D+00
      3   0.122568D+01  0.211105D+01 -0.297820D+00 -0.122953D+00  0.164273D+00
               166           167           168           169           170 
      1   0.123745D+01  0.774225D+00 -0.209748D+00 -0.101842D+00 -0.602696D+00
      2   0.774225D+00  0.103031D+02 -0.332531D+01 -0.602696D+00 -0.597680D+01
      3  -0.209748D+00 -0.332531D+01  0.210662D+01  0.513145D+00  0.350636D+01
               171           172           173           174           175 
      1   0.513145D+00 -0.463303D+01  0.112941D+01 -0.167501D+01  0.345289D+00
      2   0.350636D+01  0.112941D+01 -0.192310D+01  0.269178D+00 -0.116835D+01
      3  -0.266986D+01 -0.167501D+01  0.269178D+00 -0.150404D+01 -0.363761D-01
               176           177           178           179           180 
      1  -0.116835D+01 -0.363761D-01 -0.275860D+01  0.288939D+00 -0.187163D+01
      2   0.521874D+00 -0.244681D+00  0.288939D+00 -0.757836D+00  0.773141D+00
      3  -0.244681D+00  0.126038D+00 -0.187163D+01  0.773141D+00 -0.211096D+01
               181           182           183           184           185 
      1  -0.158594D+01  0.202002D+01  0.574524D+00  0.186263D+01 -0.247325D+01
      2   0.202002D+01 -0.181798D+01 -0.846801D+00 -0.247325D+01  0.918120D+01
      3   0.574524D+00 -0.846801D+00 -0.694806D+00 -0.932559D+00  0.304668D+01
               186           187           188           189           190 
      1  -0.932559D+00  0.777216D+00 -0.196984D+01 -0.138725D+01 -0.423939D+01
      2   0.304668D+01 -0.196984D+01  0.529938D+01  0.325856D+01  0.904057D+00
      3   0.199363D+01 -0.138725D+01  0.325856D+01  0.266747D+01  0.106754D+01
               191           192           193           194           195 
      1   0.904057D+00  0.106754D+01  0.199248D+01 -0.102996D+01 -0.870951D+00
      2  -0.100291D+01 -0.563625D+00 -0.102996D+01  0.205596D+01  0.851676D+00
      3  -0.563625D+00 -0.114723D+01 -0.870951D+00  0.851676D+00  0.980285D+00
               196           197           198           199           200 
      1   0.203731D+01 -0.100406D+01 -0.186495D+01 -0.832146D+01 -0.264720D+01
      2  -0.100406D+01  0.148310D+01  0.786016D+00 -0.264720D+01 -0.191599D+01
      3  -0.186495D+01  0.786016D+00  0.210959D+01 -0.271390D+01 -0.118413D+01
               201           202           203           204           205 
      1  -0.271390D+01 -0.299984D+01 -0.248752D+01 -0.126980D+01 -0.503368D+01
      2  -0.118413D+01 -0.248752D+01 -0.234414D+01 -0.908818D+00 -0.224247D+01
      3  -0.190661D+01 -0.126980D+01 -0.908818D+00 -0.910379D+00 -0.329374D+01
               206           207           208           209           210 
      1  -0.224247D+01 -0.329374D+01  0.126253D+01 -0.880397D+00 -0.499134D+00
      2  -0.104742D+01 -0.130859D+01 -0.880397D+00  0.124836D+01  0.714289D+00
      3  -0.130859D+01 -0.267106D+01 -0.499134D+00  0.714289D+00  0.640703D+00
               211           212           213           214           215 
      1  -0.113470D+01  0.199127D+00  0.406682D+00 -0.998207D+00  0.722362D+00
      2   0.199127D+00 -0.498339D+01 -0.141861D+01  0.722362D+00 -0.250621D+01
      3   0.406682D+00 -0.141861D+01 -0.136609D+01  0.261796D+00 -0.200797D+01
               216           217           218           219           220 
      1   0.261796D+00 -0.451643D+01 -0.326262D+01  0.166328D+01 -0.261228D+01
      2  -0.200797D+01 -0.326262D+01 -0.335635D+01  0.156067D+01 -0.316104D+01
      3  -0.210524D+01  0.166328D+01  0.156067D+01 -0.138408D+01  0.147179D+01
               221           222           223           224           225 
      1  -0.316104D+01  0.147179D+01  0.247058D+01  0.294527D+01 -0.213374D+01
      2  -0.584252D+01  0.196047D+01  0.294527D+01  0.361068D+01 -0.283108D+01
      3   0.196047D+01 -0.159743D+01 -0.213374D+01 -0.283108D+01  0.267201D+01
               226           227           228           229           230 
      1   0.238739D+01 -0.325602D+00  0.334445D+00 -0.184679D+01  0.122311D+01
      2  -0.325602D+00  0.321934D+01 -0.212991D+01  0.122311D+01 -0.399746D+01
      3   0.334445D+00 -0.212991D+01  0.162488D+01 -0.989379D+00  0.155202D+01
               231           232           233           234           235 
      1  -0.989379D+00  0.449851D+00 -0.112372D+01  0.709384D+00 -0.135212D+01
      2   0.155202D+01 -0.112372D+01  0.802554D+00 -0.955450D+00 -0.292779D+00
      3  -0.140769D+01  0.709384D+00 -0.955450D+00  0.184005D+01  0.112558D+01
               236           237           238           239           240 
      1  -0.292779D+00  0.112558D+01  0.533600D+00  0.120874D+01 -0.888957D+00
      2  -0.325391D+00 -0.142408D+00  0.120874D+01  0.196004D+01 -0.251963D+00
      3  -0.142408D+00 -0.162969D+01 -0.888957D+00 -0.251963D+00  0.149757D+01
               241           242           243           244           245 
      1   0.137272D+01  0.311803D+00 -0.141334D+01 -0.231521D+01  0.140974D+01
      2   0.311803D+00  0.138310D+01 -0.389675D+00  0.140974D+01 -0.184080D+01
      3  -0.141334D+01 -0.389675D+00  0.593419D+01 -0.670102D+00  0.108091D+01
               246           247           248           249           250 
      1  -0.670102D+00  0.373906D+01 -0.894627D+00  0.222421D+01 -0.205391D+00
      2   0.108091D+01 -0.894627D+00  0.321469D+01 -0.121417D+01  0.105884D+01
      3  -0.927612D+00  0.222421D+01 -0.121417D+01  0.193988D+01 -0.733336D+00
               251           252           253           254           255 
      1   0.105884D+01 -0.733336D+00  0.224279D+01  0.519576D+00  0.421211D+00
      2  -0.105193D+01  0.937334D+00  0.519576D+00 -0.283128D+00  0.464684D+00
      3   0.937334D+00 -0.184193D+01  0.421211D+00  0.464684D+00  0.101060D+01
               256           257           258           259           260 
      1  -0.119058D+01 -0.677423D+00 -0.282874D+00 -0.153846D+01 -0.265298D+00
      2  -0.677423D+00 -0.109990D+01 -0.129344D+01 -0.265298D+00 -0.121156D+01
      3  -0.282874D+00 -0.129344D+01 -0.197288D+01 -0.753310D+00 -0.126465D+01
               261           262           263           264           265 
      1  -0.753310D+00 -0.556181D+01  0.370113D+00  0.259565D+01 -0.596563D+00
      2  -0.126465D+01  0.370113D+00 -0.230435D+01 -0.317121D+00  0.942629D-02
      3  -0.594102D+01  0.259565D+01 -0.317121D+00 -0.202846D+01  0.823609D+00
               266           267           268           269           270 
      1   0.942629D-02  0.823609D+00  0.168752D+01  0.411744D+00 -0.118044D+01
      2  -0.134402D+01 -0.712994D+00  0.411744D+00 -0.435370D+00 -0.138378D+00
      3  -0.712994D+00 -0.703839D+00 -0.118044D+01 -0.138378D+00  0.183848D+01
               271           272           273           274           275 
      1   0.646613D+00 -0.911738D+00  0.536549D+00  0.530779D-02  0.868510D+00
      2  -0.911738D+00  0.235527D+01  0.122750D+01  0.868510D+00  0.203382D+00
      3   0.536549D+00  0.122750D+01  0.211075D+01  0.479955D+00  0.336684D+00
               276           277           278           279           280 
      1   0.479955D+00  0.111032D+01 -0.163524D+00  0.365977D+00  0.516854D+01
      2   0.336684D+00 -0.163524D+00  0.164920D+01  0.142522D+01  0.103927D+01
      3   0.666540D+00  0.365977D+00  0.142522D+01  0.594252D+01 -0.250622D+01
               281           282           283           284           285 
      1   0.103927D+01 -0.250622D+01  0.698162D+00  0.454282D+00 -0.220293D-01
      2   0.294065D+01 -0.116186D+01  0.454282D+00 -0.566138D+00  0.621724D+00
      3  -0.116186D+01  0.214132D+01 -0.220293D-01  0.621724D+00 -0.163315D+00
               286           287           288           289           290 
      1  -0.175692D+01 -0.164075D+00  0.117779D+01 -0.403547D+00 -0.156684D+00
      2  -0.164075D+00  0.500969D+00  0.166672D+00 -0.156684D+00 -0.253626D+01
      3   0.117779D+01  0.166672D+00 -0.183855D+01 -0.941810D+00  0.106795D+01
               291           292           293           294           295 
      1  -0.941810D+00  0.358912D+00 -0.872844D+00  0.322178D+00 -0.106071D+01
      2   0.106795D+01 -0.872844D+00 -0.907614D+00  0.724554D-01 -0.916744D-02
      3  -0.220547D+01  0.322178D+00  0.724554D-01  0.111574D+00 -0.714875D+00
               296           297           298           299           300 
      1  -0.916744D-02 -0.714875D+00  0.709117D+00  0.107216D+01 -0.104346D+00
      2  -0.168607D+01  0.128313D+01  0.107216D+01  0.153559D+01  0.735246D+00
      3   0.128313D+01 -0.593915D+01 -0.104346D+00  0.735246D+00  0.404643D+00
               301           302           303           304           305 
      1   0.355851D+01  0.122049D+01  0.187483D+01 -0.257135D+00  0.713434D+00
      2   0.122049D+01  0.422404D+01  0.199229D+01  0.713434D+00  0.151671D+01
      3   0.187483D+01  0.199229D+01  0.211502D+01  0.472547D+00  0.109454D+01
               306           307           308           309           310 
      1   0.472547D+00 -0.186890D+01 -0.308982D+00 -0.354356D+00 -0.205462D+01
      2   0.109454D+01 -0.308982D+00  0.559337D+00  0.350050D-01  0.506097D+00
      3   0.184506D+01 -0.354356D+00  0.350050D-01 -0.476157D+00 -0.714556D+00
               311           312           313           314           315 
      1   0.506097D+00 -0.714556D+00  0.165417D+01 -0.152278D+00  0.104775D+01
      2  -0.657433D+00  0.123131D+01 -0.152278D+00  0.110772D+01 -0.103353D+01
      3   0.123131D+01 -0.216617D+01  0.104775D+01 -0.103353D+01  0.593712D+01
               316           317           318           319           320 
      1  -0.186288D+01  0.549312D-01  0.354770D+00 -0.192081D+01 -0.540912D+00
      2   0.549312D-01 -0.208900D+01 -0.163039D+01 -0.540912D+00 -0.515479D+01
      3   0.354770D+00 -0.163039D+01 -0.121748D+01 -0.488395D+00 -0.224150D+01
               321           322           323           324           325 
      1  -0.488395D+00  0.789780D-01 -0.894303D+00 -0.445321D+00  0.107476D+01
      2  -0.224150D+01 -0.894303D+00 -0.133728D+01 -0.110718D+01  0.353819D+00
      3  -0.177731D+01 -0.445321D+00 -0.110718D+01 -0.184506D+01 -0.784130D+00
               326           327           328           329           330 
      1   0.353819D+00 -0.784130D+00  0.154606D+01 -0.135849D+01 -0.116352D+01
      2  -0.819031D-01 -0.415419D+00 -0.135849D+01  0.129540D+01 -0.891477D-01
      3  -0.415419D+00  0.120010D+01 -0.116352D+01 -0.891477D-01  0.186404D+01
               331           332           333 
      1  -0.152720D+01  0.274030D+00  0.147139D+01
      2   0.274030D+00 -0.122823D+01 -0.179798D-01
      3   0.147139D+01 -0.179798D-01 -0.593699D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.452127D+01 -0.518912D+01 -0.479553D+01 -0.694687D+01  0.352852D+01
      2   0.535097D+01  0.402820D+01  0.707739D+01  0.471308D+01 -0.489855D+01
      3   0.339261D+01 -0.796771D+01  0.224426D+01 -0.159936D+01  0.316025D+01
                 6             7             8             9            10 
      1   0.202778D+01 -0.538711D+01  0.356707D+01  0.109754D+01 -0.190670D+01
      2  -0.188737D+01  0.310452D+01 -0.537015D+00 -0.879371D+00  0.392634D+00
      3   0.948285D+01 -0.391985D+00  0.136211D+02  0.600484D+01 -0.720050D+00
                11            12            13            14            15 
      1   0.433099D+01 -0.240122D+00  0.413932D+01  0.207466D+01 -0.567537D+01
      2  -0.963946D+01 -0.639879D+00 -0.777647D+01 -0.146810D+01  0.692461D+01
      3   0.896813D+00  0.972907D+01  0.719432D+01 -0.585917D+01 -0.360352D+00
                16            17            18            19            20 
      1  -0.855226D+00 -0.142033D+01 -0.590220D+00  0.540152D+01 -0.960893D+01
      2  -0.177100D+01  0.681862D+01  0.133754D+01  0.169778D+02  0.494946D+01
      3   0.130407D+02 -0.400399D+01 -0.602959D+01 -0.132981D+02  0.736567D+01
                21            22            23            24            25 
      1   0.676789D+01 -0.161500D+02 -0.285877D+00 -0.945787D+01  0.463402D+01
      2  -0.269617D+00 -0.269305D+01  0.741380D+00 -0.892120D+01 -0.254485D+02
      3  -0.942898D+01  0.274985D+02  0.436458D+01  0.105431D+02 -0.308288D+01
                26            27            28            29            30 
      1   0.460497D-01  0.351931D+00  0.115802D+00 -0.474696D+00 -0.570945D-01
      2  -0.101516D+02 -0.186377D+02 -0.211703D+00 -0.372438D+00  0.900646D+00
      3   0.649624D+01  0.260811D+01 -0.110323D+00  0.711923D+00  0.151433D+00
                31            32            33            34            35 
      1  -0.332504D+00 -0.266821D+00 -0.823801D+00  0.105269D+00 -0.467919D+01
      2  -0.157894D+00  0.310351D+00 -0.152410D+00  0.500325D+01 -0.290194D+00
      3  -0.869612D+00  0.179179D+00  0.200209D-01  0.958881D-01 -0.319969D-01
                36            37            38            39            40 
      1  -0.287398D+00  0.670841D+00 -0.215785D+01  0.103350D+02  0.691033D+01
      2   0.107117D+00 -0.693922D+01 -0.127378D+02  0.474153D+01 -0.844271D+01
      3   0.103951D+00 -0.120766D+02 -0.205794D+02  0.765302D+01 -0.389568D+00
                41            42            43            44            45 
      1   0.177624D+02 -0.444238D+01  0.156337D+02  0.198560D+02 -0.178301D+02
      2   0.713463D+01 -0.808964D+01 -0.562631D+01 -0.100855D+02  0.513495D+01
      3   0.209481D+02 -0.118678D+02  0.535167D+01 -0.464188D+01 -0.262274D+01
                46            47            48            49            50 
      1  -0.291178D+01 -0.880438D+01 -0.333863D+01 -0.171673D+02 -0.637947D+01
      2   0.161773D+02 -0.314697D+01 -0.351646D+01  0.246172D+01 -0.413555D+00
      3   0.356557D+01  0.948988D+01  0.641831D+01  0.296770D+02  0.519676D+01
                51            52            53            54            55 
      1  -0.127048D+02  0.249996D+01 -0.198092D+01  0.448408D+01  0.617261D+00
      2   0.562589D+01 -0.275560D+02  0.313978D+01 -0.181432D+02 -0.394740D+01
      3   0.126344D+02  0.139850D+01  0.709816D+01 -0.267157D+01 -0.937572D+00
                56            57            58            59            60 
      1   0.232070D+01  0.133365D+01  0.260912D+01 -0.480782D+00 -0.351703D+01
      2   0.987146D+01  0.154147D+01  0.798694D+01  0.292188D+01 -0.801356D+01
      3  -0.880564D+00 -0.932821D+01  0.547750D+01  0.749929D+01 -0.282660D+01
                61            62            63            64            65 
      1   0.115308D+01  0.677159D+00  0.221802D+00  0.501318D+01 -0.210763D+01
      2   0.255358D+00 -0.705525D+01  0.141147D+01  0.834291D+01 -0.155578D+01
      3  -0.115852D+02 -0.719297D+01  0.598881D+01 -0.102716D+01 -0.741308D+01
                66            67            68            69            70 
      1   0.238872D+01 -0.361627D+01 -0.418575D+01  0.215096D+01  0.349546D+01
      2   0.719182D+01 -0.263649D+01 -0.772100D+01  0.428046D+01  0.393357D+01
      3  -0.455382D+01 -0.108167D+01 -0.553719D+01  0.861148D+01 -0.307795D+01
                71            72            73            74            75 
      1   0.427934D+01 -0.855083D+00  0.486289D-01 -0.306745D+00 -0.927132D+01
      2   0.243086D+01 -0.117643D+01 -0.116239D+02  0.817921D+01  0.205324D+00
      3   0.133125D+02 -0.599771D+01  0.151780D+02 -0.110856D+02 -0.446502D+01
                76            77            78            79            80 
      1   0.949298D+01 -0.178577D+02 -0.896005D+01 -0.175721D+02  0.126492D+02
      2   0.624730D+01  0.717781D+01  0.703549D+01 -0.129275D+02  0.119773D+02
      3   0.909051D+01 -0.239555D+02 -0.134473D+02 -0.405531D+01 -0.598124D+01
                81            82            83            84            85 
      1   0.160249D+02 -0.278120D+01  0.280104D+01 -0.811053D+00 -0.517736D+00
      2   0.964087D+01 -0.125709D+02 -0.156650D+02  0.137670D+02 -0.622958D+01
      3   0.263996D+01 -0.151687D+02 -0.264432D+02  0.138011D+02 -0.633992D+01
                86            87            88            89            90 
      1   0.155810D+02  0.464768D+01  0.452480D+01  0.255087D+02 -0.162701D+02
      2  -0.756204D+00 -0.136631D+01 -0.224672D-02 -0.100497D+02  0.902455D+01
      3   0.619921D+01  0.288933D+01  0.710996D+01 -0.557160D+00  0.261453D+01
                91            92            93            94            95 
      1   0.694599D+01  0.553672D+01  0.788089D+01  0.725376D+01 -0.794404D+01
      2  -0.101880D+01  0.113217D+01  0.100347D+01  0.375351D+00  0.142053D+01
      3  -0.806696D+01 -0.297921D+01 -0.516534D+01  0.335085D+01  0.149591D+01
                96            97            98            99           100 
      1  -0.400861D+01  0.627697D+01 -0.227367D+01  0.145382D+01 -0.868996D+01
      2  -0.119051D+01 -0.269980D+01 -0.330449D+00 -0.157603D+00 -0.280477D+01
      3  -0.825675D+01 -0.997338D+01 -0.930258D+01 -0.601814D+01  0.733439D+01
               101           102           103           104           105 
      1   0.143886D+01 -0.654089D+01  0.290715D+01  0.954176D+01 -0.608812D+01
      2  -0.131673D+01 -0.101958D+01 -0.139732D+00  0.342457D+01 -0.148274D+00
      3  -0.658699D+00  0.708757D+01  0.569948D+01 -0.787527D+00 -0.667062D+01
               106           107           108           109           110 
      1  -0.463557D+01 -0.359567D+01 -0.136517D+01  0.539124D+01  0.407391D+01
      2  -0.400204D+01 -0.132318D+01 -0.532477D+00 -0.163402D+02  0.128707D+02
      3   0.120172D+02 -0.642971D+01  0.603311D+01  0.218270D+02 -0.191064D+02
               111           112           113           114           115 
      1  -0.364218D+01  0.324079D+01 -0.143434D+02  0.330479D+01 -0.982601D+01
      2   0.125210D+02  0.280578D+01  0.250485D+00  0.589205D+01 -0.518322D+01
      3  -0.141390D+02  0.103435D+01 -0.129169D+02 -0.721590D+00 -0.682308D+01
               116           117           118           119           120 
      1   0.202785D+02  0.134873D+02  0.926694D+00  0.127616D+01 -0.151638D+01
      2   0.154021D+02  0.129264D+02  0.990887D+00  0.134180D+01 -0.647709D+00
      3  -0.238805D+01 -0.263806D+01  0.621790D+01  0.330720D+01 -0.230855D+01
               121           122           123           124           125 
      1   0.479902D+00  0.486117D+01 -0.516029D+01  0.133172D+00 -0.388223D+01
      2   0.681342D+00  0.541061D+01 -0.387558D+01 -0.178596D+01 -0.521388D+01
      3   0.383074D+01  0.132418D+02 -0.538993D+01 -0.381415D+01 -0.904801D+01
               126           127           128           129           130 
      1   0.623074D+01 -0.241597D+01  0.129727D+01  0.335455D+01  0.782201D+00
      2   0.686104D+01 -0.170801D+01  0.216230D+01  0.499346D+01  0.110947D+01
      3   0.513245D+01 -0.550572D+01 -0.208811D+01  0.649759D+00 -0.838928D+00
               131           132           133           134           135 
      1  -0.250878D+00 -0.267636D+01  0.183982D+01 -0.388171D+00 -0.405916D+01
      2  -0.117520D+01 -0.340839D+01  0.863409D-01 -0.166916D+01 -0.579295D+01
      3   0.436823D+01  0.916228D+00  0.410352D+01 -0.883513D+00  0.153075D+00
               136           137           138           139           140 
      1  -0.140385D+00 -0.232051D+00 -0.195907D+00 -0.141412D+00 -0.325661D+00
      2  -0.299144D+01 -0.244421D+01  0.346996D+01 -0.346972D+01 -0.561521D+01
      3  -0.620359D+01 -0.380710D+01  0.219752D+01 -0.327193D+01 -0.132661D+02
               141           142           143           144           145 
      1  -0.104952D+01 -0.278926D+00  0.164757D+01 -0.491635D+00  0.517191D+00
      2   0.558094D+01  0.376927D+01  0.534628D+01 -0.923099D+01  0.383494D+01
      3   0.543431D+01  0.373151D+01  0.907486D+01 -0.512786D+01 -0.930227D+00
               146           147           148           149           150 
      1   0.762181D+00  0.121299D+01  0.378395D+00 -0.350209D+00 -0.461474D+00
      2  -0.415591D+00  0.720508D+01 -0.151772D+01  0.771874D-01 -0.115580D+01
      3  -0.555155D+01 -0.193411D+00 -0.430252D+01  0.207493D+01 -0.110604D+01
               151           152           153           154           155 
      1  -0.219320D+00  0.152155D+01  0.125784D+01 -0.680568D+01 -0.233550D+01
      2   0.199663D+01  0.555514D-01  0.696427D+01  0.142400D+01  0.566708D+00
      3   0.350402D+01 -0.229040D+01 -0.160465D+00  0.145376D+02  0.981565D+00
               156           157           158           159           160 
      1  -0.580010D+01 -0.136180D+01 -0.163197D+01 -0.185222D+01 -0.633516D+01
      2   0.268238D+01  0.205107D+00  0.383040D+00  0.414481D+00  0.153380D+00
      3   0.582613D+01  0.153965D+01  0.487612D+01  0.690287D+00  0.974228D+01
               161           162           163           164           165 
      1  -0.196072D+01 -0.906552D+01 -0.144367D+00 -0.286763D+00 -0.726172D+00
      2   0.125771D+01  0.196500D+01  0.415333D-01  0.610740D+00  0.327838D+00
      3   0.120795D+01  0.513273D+01  0.641157D+00  0.437865D+01 -0.112110D+01
               166           167           168           169           170 
      1   0.889200D+00  0.398371D+01 -0.734435D+01 -0.933982D+00 -0.169383D+01
      2   0.695941D+00 -0.911122D+00  0.664563D+00 -0.120525D+01  0.109627D+01
      3   0.562982D+01 -0.177797D+01  0.102647D+00 -0.128745D+01  0.399464D+01
               171           172           173           174           175 
      1   0.704007D+01  0.674405D+01 -0.714926D+00  0.518961D+01  0.129542D+00
      2  -0.622960D+00  0.337677D+01 -0.453142D+00  0.415339D+01  0.127223D+00
      3   0.161223D+00 -0.145313D+02 -0.157498D+01 -0.581637D+01 -0.104452D+01
               176           177           178           179           180 
      1   0.987620D+00 -0.348691D+00  0.630533D+01  0.408537D-01  0.827335D+01
      2   0.531288D+00  0.210076D+00  0.213659D+01 -0.121704D+01  0.420504D+01
      3  -0.493028D+01 -0.829002D+00 -0.974689D+01 -0.133611D+01 -0.514447D+01
               181           182           183           184           185 
      1  -0.332057D+00  0.736996D+00  0.236045D+01  0.189752D+01 -0.314694D+01
      2   0.223998D+00 -0.109024D+00  0.112440D+01  0.108757D+00 -0.203510D+01
      3  -0.294613D+01  0.313439D+01  0.105329D+01  0.439241D+01  0.407736D+01
               186           187           188           189           190 
      1  -0.654347D+01  0.151184D+01 -0.998056D+00 -0.664367D+01  0.141016D+01
      2  -0.229833D+01 -0.521677D+00 -0.167276D+01 -0.238754D+01 -0.441391D+01
      3   0.383558D+00  0.224083D+00  0.418440D+01 -0.163027D+00  0.837404D+01
               191           192           193           194           195 
      1  -0.934938D+00 -0.769650D+00 -0.110636D+01  0.123735D+01  0.213442D+00
      2   0.256483D+01  0.472594D+01  0.355595D+01 -0.382428D+01 -0.463048D+01
      3  -0.508281D+01 -0.351403D+01 -0.452434D+01  0.110817D+02  0.471147D+01
               196           197           198           199           200 
      1  -0.141042D+01  0.269863D+01  0.282587D+01 -0.151459D+01  0.150800D+00
      2   0.477005D+01 -0.367934D+01 -0.884888D+01  0.283709D+01  0.130113D+01
      3  -0.590578D+01  0.787163D+01  0.514207D+01  0.316370D+01 -0.418046D+01
               201           202           203           204           205 
      1  -0.271719D+01 -0.510361D+00  0.349325D+00 -0.148096D+01 -0.658743D+00
      2   0.619188D+01  0.228038D+01  0.921434D+00  0.266179D+01  0.182920D+01
      3   0.469536D+00 -0.291784D+01 -0.428994D+01 -0.101668D+01 -0.281680D+01
               206           207           208           209           210 
      1   0.136032D+01 -0.297686D+01 -0.201905D+01  0.264115D+01  0.307708D+01
      2   0.826173D+00  0.640531D+01  0.130333D+01 -0.167276D+01 -0.843403D+00
      3  -0.310467D+01  0.155055D+00 -0.840594D+01  0.454196D+01  0.360867D+01
               211           212           213           214           215 
      1   0.169066D+01 -0.521591D+01 -0.536144D+01  0.157788D+01 -0.486543D+01
      2  -0.122436D+01  0.341995D+01  0.230433D+01 -0.272069D+01  0.348739D+01
      3   0.506784D+01 -0.110426D+02 -0.461647D+01  0.598674D+01 -0.777518D+01
               216           217           218           219           220 
      1  -0.774505D+01  0.193046D+01  0.217005D+01 -0.348938D+01  0.140315D+01
      2   0.504836D+01 -0.393696D+00 -0.158311D+01  0.318121D+01 -0.694523D+00
      3  -0.512837D+01  0.559457D+01  0.531789D+00 -0.864433D+00  0.177746D+01
               221           222           223           224           225 
      1   0.138594D+01 -0.449181D+01 -0.154599D+01 -0.124661D+01  0.540243D+01
      2  -0.171916D+01  0.354386D+01 -0.753590D+00  0.138345D+01 -0.457549D+01
      3  -0.444764D+01  0.724476D+00 -0.374656D+01 -0.189074D+01 -0.161467D+00
               226           227           228           229           230 
      1   0.701540D+00  0.454639D+01  0.323192D-01  0.893544D+00 -0.184633D+01
      2  -0.661705D+01  0.477019D+01 -0.258837D+01  0.411136D+01 -0.394048D+01
      3  -0.819227D+01  0.652717D+01 -0.421708D+01  0.605959D+01 -0.576490D+01
               231           232           233           234           235 
      1  -0.112857D+01  0.991962D+00 -0.755601D+00  0.153395D+01  0.218776D+01
      2   0.294570D+01 -0.254932D+01  0.185128D+01 -0.263063D+01  0.795927D+00
      3   0.315263D+01 -0.122235D+01  0.200573D+01 -0.303211D+01  0.184663D+01
               236           237           238           239           240 
      1  -0.126323D+01 -0.375714D+01 -0.206863D+01 -0.855290D+00  0.529931D+01
      2   0.498400D+00  0.422045D+00 -0.166121D+01 -0.171493D+01 -0.507253D-01
      3  -0.100371D+01 -0.229096D+01 -0.208691D+01 -0.267833D+01  0.258553D+01
               241           242           243           244           245 
      1  -0.305780D+01  0.115526D+01  0.122951D+02 -0.188268D+01  0.301945D+01
      2  -0.178957D+01 -0.245906D-01 -0.277422D+01  0.221902D+00  0.382013D+00
      3  -0.254076D+01 -0.144156D+00  0.268145D+01  0.272593D+01 -0.455474D+01
               246           247           248           249           250 
      1  -0.177992D+01  0.462600D+01 -0.863373D+01  0.309307D+01 -0.942024D+00
      2   0.161657D+01  0.375660D+01  0.147483D+01 -0.116710D+01  0.729913D+00
      3   0.193120D+01 -0.503709D+01  0.112471D+02 -0.490495D+01  0.159957D+01
               251           252           253           254           255 
      1   0.255335D+01 -0.212980D+01 -0.215636D+01 -0.120114D+01 -0.117165D+01
      2  -0.191349D+01  0.217197D+01 -0.925317D+00 -0.782888D+00 -0.394814D+01
      3  -0.171564D+01  0.303650D+01  0.314786D+01  0.715342D+00  0.188626D+01
               256           257           258           259           260 
      1   0.112685D+01  0.165917D+01  0.923420D+00  0.407588D+00  0.251866D+01
      2  -0.567859D+00  0.245501D+01  0.494237D+01 -0.384058D+00  0.266452D+01
      3  -0.392693D+00 -0.230409D+01 -0.289310D+01 -0.853511D+00 -0.239312D+01
               261           262           263           264           265 
      1   0.580910D+00 -0.555277D+01 -0.342445D+01  0.382460D+01 -0.216938D+01
      2   0.125812D+02  0.733792D+01  0.168324D+00 -0.106999D+01  0.367288D+01
      3  -0.268101D+01 -0.118473D+02 -0.395951D+01  0.483751D+01 -0.444474D+01
               266           267           268           269           270 
      1  -0.307393D+01  0.396087D+00  0.307299D+01  0.135999D+01 -0.303504D+01
      2  -0.102530D+01 -0.851442D+00 -0.437506D+00 -0.194151D+00  0.865532D-03
      3  -0.219734D+01  0.205625D+01  0.234337D+01  0.348142D-01 -0.304890D+01
               271           272           273           274           275 
      1  -0.119670D+01  0.878826D+00 -0.344309D+01 -0.582384D+00 -0.309364D+00
      2  -0.911540D+00 -0.342961D+01 -0.548627D+01 -0.160096D+01  0.146633D+00
      3  -0.195213D+00  0.327191D+01  0.339144D+01  0.215999D+01 -0.604007D+00
               276           277           278           279           280 
      1  -0.612815D+00 -0.509288D+00  0.314794D+00 -0.855160D+01  0.457202D+01
      2  -0.343635D+00 -0.262876D+01 -0.257785D+01 -0.928004D+01  0.920227D+01
      3   0.687657D+00  0.115225D+01  0.226602D+01  0.268831D+01  0.132896D+02
               281           282           283           284           285 
      1  -0.293990D+01 -0.335107D+01 -0.802918D+00  0.215098D+01 -0.721535D+00
      2   0.142417D+01 -0.214794D+01 -0.161966D+01 -0.915487D+00  0.392513D+00
      3  -0.109941D+01 -0.519050D+01 -0.152218D+01  0.733363D+00  0.757573D+00
               286           287           288           289           290 
      1  -0.308083D+01  0.500246D+00  0.294622D+01  0.150764D+01  0.273781D+00
      2  -0.131339D+01  0.243800D+00  0.740213D+00 -0.165752D+01  0.305148D+01
      3  -0.228097D+01 -0.529403D+00  0.302760D+01 -0.105864D+01  0.284211D+01
               291           292           293           294           295 
      1   0.472123D+01 -0.678255D+00 -0.172668D-01  0.550395D+00  0.116487D+01
      2  -0.430551D+01  0.987511D+00  0.142183D+01 -0.935021D+00 -0.294839D+01
      3  -0.342910D+01  0.174699D+01  0.193118D+01 -0.170962D+00 -0.163143D+01
               296           297           298           299           300 
      1  -0.588236D-01  0.106042D+02  0.118673D+00  0.943588D+00  0.608314D+00
      2   0.190342D+01 -0.679115D+01  0.140954D+01 -0.201220D+00  0.146600D+01
      3   0.195316D+01 -0.267475D+01 -0.979673D+00 -0.183392D+01 -0.631068D+00
               301           302           303           304           305 
      1   0.332516D+01  0.966337D+01  0.291351D+01  0.206510D+00  0.209213D+01
      2  -0.304661D+01  0.292669D+01  0.238424D+01  0.263671D+00  0.266926D+01
      3  -0.226850D+01 -0.130653D+02 -0.521942D+01 -0.111778D+01 -0.207014D+01
               306           307           308           309           310 
      1   0.152369D+01  0.210701D+01 -0.208894D+00  0.152365D+01  0.206050D+01
      2   0.263882D+01 -0.532944D+00 -0.160825D+00 -0.226573D+01  0.184954D+00
      3  -0.304962D+01 -0.285441D+01 -0.622888D+00 -0.110323D+01 -0.171414D+01
               311           312           313           314           315 
      1  -0.204065D+01  0.262330D+01 -0.105467D+01  0.295884D+01 -0.374455D+01
      2   0.217166D+01 -0.532633D+01 -0.254802D-01 -0.203646D+01  0.120245D+02
      3   0.208376D+01 -0.329100D+01  0.137644D+01 -0.213678D+01  0.269485D+01
               316           317           318           319           320 
      1  -0.738652D+00  0.470045D+01  0.702763D+00  0.997470D+00  0.453627D+01
      2  -0.466722D+01 -0.376474D+01 -0.163043D+01 -0.407080D+01 -0.533928D+01
      3   0.502305D+01  0.630014D+01  0.326199D+01  0.582527D+01  0.902684D+01
               321           322           323           324           325 
      1  -0.180825D+00 -0.253450D+00 -0.328455D+00 -0.820883D+00 -0.121747D+01
      2  -0.366977D+01 -0.215548D+01 -0.259908D+01 -0.293361D+01  0.373806D-01
      3   0.412439D+01  0.683813D+00  0.223611D+01  0.303895D+01 -0.801071D+00
               326           327           328           329           330 
      1  -0.170818D+01  0.210078D+01 -0.308494D+01  0.134704D+00  0.584751D+01
      2  -0.417947D+00  0.970199D+00  0.148173D+01 -0.124883D+01  0.167849D+01
      3  -0.190135D+01  0.155913D+01 -0.299660D+01  0.163993D+01  0.308300D+01
               331           332           333 
      1   0.301879D+01  0.192126D+01 -0.111708D+02
      2  -0.100517D+01  0.661837D-01 -0.579687D+01
      3   0.249261D+01  0.490062D+00 -0.268774D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.341135D+01 -0.404447D+01  0.846660D-01 -0.520150D+00  0.502619D+01
      2  -0.469326D+01 -0.937727D+00  0.134319D+02 -0.353669D-01 -0.120093D+02
      3   0.128190D+01  0.498220D+01 -0.135166D+02  0.555517D+00  0.698312D+01
      4  -0.943635D+01 -0.172986D+02  0.190570D+02 -0.879485D+01 -0.156842D+02
      5   0.742115D+01  0.146602D+02 -0.363173D+01  0.145425D+02  0.639108D+01
      6   0.105740D+02  0.184121D+02 -0.918311D+00  0.175326D+02  0.142798D+01
                 6             7             8             9            10 
      1   0.155646D+02 -0.390890D+01  0.159883D+02  0.740182D+01 -0.218385D+02
      2  -0.914367D+01  0.155823D+02 -0.100139D+02 -0.119478D+02  0.138236D+02
      3  -0.642092D+01 -0.116734D+02 -0.597438D+01  0.454598D+01  0.801495D+01
      4   0.155970D+02  0.216255D+02  0.209329D+02 -0.902678D+01 -0.149263D+02
      5  -0.857506D+01 -0.335612D+01 -0.109823D+02  0.212735D+01 -0.145483D+02
      6  -0.100478D+02 -0.275236D+01 -0.152710D+02  0.143065D+01 -0.104591D+02
                11            12            13            14            15 
      1  -0.104894D+01 -0.641868D+01 -0.642248D+01 -0.591085D+01 -0.212636D+02
      2   0.232955D+01 -0.335867D+01  0.330449D+01  0.564622D+01  0.993704D+01
      3  -0.128061D+01  0.977735D+01  0.311799D+01  0.264633D+00  0.113266D+02
      4  -0.529643D+01 -0.224681D+02 -0.132157D+02 -0.280673D+00 -0.726267D+01
      5  -0.201163D+02 -0.120154D+02 -0.209457D+02 -0.668534D+00  0.139630D+01
      6  -0.772490D+01 -0.627977D+01 -0.757284D+01  0.314533D+00 -0.165920D+01
                16            17            18            19            20 
      1  -0.906905D+01 -0.236744D+02 -0.151845D+02  0.817814D+01  0.328638D+01
      2   0.225579D+00  0.140106D+02  0.106627D+02 -0.512364D+01 -0.705059D+01
      3   0.884347D+01  0.966381D+01  0.452185D+01 -0.305450D+01  0.376421D+01
      4  -0.273479D+02 -0.658187D+01 -0.281818D+01  0.192331D+02  0.103603D+00
      5  -0.179373D+02  0.126567D+01 -0.193167D+01  0.973675D+01  0.119576D+02
      6  -0.698484D+01 -0.685897D+00 -0.167456D+01  0.404070D+01 -0.709187D+00
                21            22            23            24            25 
      1   0.311659D+01  0.575671D+01 -0.235990D+01  0.123439D+02 -0.148046D+01
      2  -0.164606D+01 -0.606467D+01  0.282120D+01 -0.210268D+01 -0.114149D+00
      3  -0.147053D+01  0.307967D+00 -0.461299D+00 -0.102412D+02  0.159461D+01
      4   0.141824D+02  0.516942D+01  0.841847D+01  0.104994D+01  0.686670D+01
      5   0.573991D+01  0.113157D+02 -0.430716D+01  0.160229D+01  0.295102D+01
      6   0.426481D+01 -0.165021D+01  0.134435D+01 -0.308891D+01  0.274446D+01
                26            27            28            29            30 
      1   0.104121D+02  0.749900D+01 -0.125744D+02 -0.248609D-01  0.450616D+01
      2  -0.288484D+01  0.133910D+01  0.212313D+01  0.787098D-02 -0.450572D+01
      3  -0.752722D+01 -0.883809D+01  0.104513D+02  0.169899D-01 -0.442737D-03
      4  -0.528542D+00  0.287926D+00 -0.346291D-01 -0.733063D+01  0.178757D+01
      5  -0.458780D+00 -0.424277D+01  0.220610D+01  0.872466D+00 -0.140318D+01
      6  -0.232251D+01 -0.591932D+01  0.869331D+00 -0.223798D+01  0.311294D-01
                31            32            33            34            35 
      1  -0.275163D-01  0.213626D+01  0.179500D+01  0.730682D+01  0.296391D+01
      2   0.546729D-01 -0.125671D+02 -0.178477D+01 -0.731027D+01 -0.298195D+01
      3  -0.271566D-01  0.104309D+02 -0.102286D-01  0.345945D-02  0.180425D-01
      4  -0.738077D+01 -0.121042D-01 -0.452140D+01  0.301903D+01 -0.728990D+01
      5   0.820617D+00 -0.222167D+01 -0.465485D-01  0.537734D+01 -0.347049D-01
      6  -0.221652D+01 -0.880891D+00 -0.140820D+01 -0.536853D-01  0.529620D+01
                36            37            38            39            40 
      1  -0.241718D+00  0.440771D+01 -0.227459D+01 -0.102282D+01 -0.595586D+01
      2  -0.326724D+00 -0.479490D+01  0.293034D+01 -0.921877D+01  0.313013D+01
      3   0.568442D+00  0.387195D+00 -0.655749D+00  0.102416D+02  0.282573D+01
      4  -0.374832D-01  0.945676D+01  0.102498D+02 -0.791771D+01  0.559848D+01
      5   0.263670D-01 -0.158859D+01 -0.269375D+01 -0.100140D+01 -0.381342D+01
      6   0.434881D-01 -0.222274D+01 -0.129487D+02  0.340974D+01 -0.133569D+02
                41            42            43            44            45 
      1   0.797957D+01 -0.584841D+01  0.130184D+01 -0.377886D+01  0.192090D+01
      2  -0.408262D+01  0.718523D+01 -0.812747D+01  0.731393D+01  0.694773D+01
      3  -0.389695D+01 -0.133682D+01  0.682564D+01 -0.353508D+01 -0.886863D+01
      4   0.163388D+02 -0.116995D+02 -0.435489D+01 -0.462641D+01  0.185145D+01
      5  -0.500775D+01  0.609966D+01 -0.139192D+01  0.392568D+01  0.681549D+01
      6  -0.149524D+01  0.360721D+01  0.766437D+00  0.202586D+01  0.251275D+01
                46            47            48            49            50 
      1   0.182314D+02  0.157845D+01  0.124277D+02 -0.322650D+01  0.544644D+00
      2  -0.163711D+02  0.257585D+01 -0.844589D+01  0.389495D+01  0.111564D+01
      3  -0.186028D+01 -0.415430D+01 -0.398186D+01 -0.668457D+00 -0.166029D+01
      4  -0.129522D+02 -0.358236D+01 -0.101533D+02  0.409034D+00 -0.912762D+01
      5   0.148463D+02 -0.647504D+01  0.657555D+01 -0.554682D+01 -0.830444D+01
      6   0.498661D+00 -0.292177D+01 -0.174014D+01 -0.370169D+01 -0.435213D+01
                51            52            53            54            55 
      1  -0.902919D+01  0.429012D+01 -0.849656D+01  0.725934D+01 -0.293260D+02
      2  -0.507212D+00 -0.391682D+01  0.810363D+00  0.158842D+01  0.213662D+02
      3   0.953640D+01 -0.373304D+00  0.768619D+01 -0.884775D+01  0.795979D+01
      4  -0.541446D+01 -0.516985D+01 -0.522869D+01  0.126526D+01  0.696818D+01
      5   0.963748D+00  0.317040D+01  0.189806D+01 -0.559799D+01 -0.263744D+02
      6  -0.399695D+01 -0.127983D+01 -0.255430D+01  0.465064D+01  0.706604D+01
                56            57            58            59            60 
      1  -0.289622D+01 -0.224796D+02  0.599714D+01 -0.288405D+01  0.177168D+02
      2  -0.410094D+00  0.101660D+02 -0.488744D+01  0.254525D+01 -0.923536D+01
      3   0.330631D+01  0.123136D+02 -0.110970D+01  0.338793D+00 -0.848149D+01
      4  -0.130119D+01  0.178681D+02 -0.666622D+01 -0.531322D+01  0.607811D+01
      5   0.146457D+02 -0.125433D+02  0.154263D+02  0.910318D+01 -0.422870D+01
      6  -0.371517D+00  0.342469D+01 -0.276842D-01 -0.110996D+01 -0.112182D+01
                61            62            63            64            65 
      1  -0.273944D+02  0.181445D+02 -0.149121D+02 -0.610474D+01  0.117474D+02
      2   0.163980D+02 -0.110435D+02  0.103730D+02  0.309840D+01 -0.573680D+01
      3   0.109964D+02 -0.710104D+01  0.453909D+01  0.300634D+01 -0.601062D+01
      4   0.199343D+02  0.889701D+01 -0.386164D+01  0.160672D+02 -0.147544D+02
      5  -0.182459D+02 -0.583350D+01 -0.232675D+01  0.187876D+02 -0.156379D+02
      6   0.239672D+01 -0.402830D+00  0.112914D+01 -0.144999D+02  0.102074D+02
                66            67            68            69            70 
      1   0.154318D+02  0.425392D+01  0.570748D+00 -0.183330D+02  0.138885D+02
      2  -0.743177D+00 -0.264391D+01 -0.585048D+01  0.155614D+02 -0.110434D+01
      3  -0.146886D+02 -0.161001D+01  0.527973D+01  0.277160D+01 -0.127841D+02
      4  -0.211363D+02 -0.802670D+01  0.119975D+02  0.223107D+01 -0.258158D+02
      5  -0.639460D+01 -0.153300D+02 -0.241491D+01  0.952810D+01 -0.750863D+01
      6   0.186820D+01  0.939818D+01  0.641636D+01 -0.729181D+01  0.477624D+01
                71            72            73            74            75 
      1  -0.217728D+02  0.172982D+01  0.901346D+01 -0.473175D+01 -0.801222D+01
      2   0.189745D+02 -0.623148D+01 -0.967351D+01  0.291508D+01 -0.158513D+01
      3   0.279833D+01  0.450167D+01  0.660043D+00  0.181667D+01  0.959735D+01
      4   0.543929D+01  0.125959D+02 -0.105800D+02  0.104156D+02  0.104392D+02
      5   0.130092D+02  0.243362D+01 -0.550362D+01  0.587207D+01  0.164598D+01
      6  -0.111167D+02 -0.853591D+00  0.752016D+01 -0.994889D+01 -0.395156D+01
                76            77            78            79            80 
      1   0.980990D+00  0.146748D+02  0.905435D+01 -0.269984D+01  0.477809D+01
      2   0.655498D+00 -0.105031D+02 -0.129194D+02 -0.300798D+01 -0.993223D+01
      3  -0.163649D+01 -0.417175D+01  0.386501D+01  0.570781D+01  0.515414D+01
      4   0.730929D+01 -0.669345D+01 -0.451893D+01  0.618350D+01  0.315049D+00
      5   0.704283D+01 -0.185873D+01 -0.662535D+01 -0.502835D-02 -0.444733D+01
      6  -0.100632D+02 -0.555391D+01  0.965045D+00 -0.125466D+01  0.616936D+00
                81            82            83            84            85 
      1   0.313644D+01 -0.370274D+01 -0.977195D+00  0.688635D+01 -0.395852D+01
      2   0.568718D+01  0.653898D+01  0.139227D+01  0.124081D+01  0.782578D+01
      3  -0.882362D+01 -0.283624D+01 -0.415074D+00 -0.812716D+01 -0.386726D+01
      4  -0.281512D+01 -0.882780D+01  0.310241D+00  0.747033D+01 -0.157905D+01
      5   0.725277D+01  0.807241D+01  0.163402D+01 -0.339801D+01  0.115320D+01
      6  -0.704309D+00  0.788578D+01 -0.161596D+01  0.369692D+01 -0.567720D+00
                86            87            88            89            90 
      1  -0.204621D+02  0.106987D+02  0.394978D+01  0.512522D+01  0.263031D+01
      2   0.211069D+02 -0.170745D+02  0.335927D+01 -0.750102D+01  0.622428D+01
      3  -0.644817D+00  0.637585D+01 -0.730905D+01  0.237580D+01 -0.885459D+01
      4  -0.150618D+01  0.151059D+01  0.723073D+01  0.486184D+00  0.252443D+01
      5  -0.609435D+01  0.102754D+01 -0.199359D+01  0.120911D+00 -0.300653D+01
      6  -0.152220D+02  0.603992D+01  0.331112D+01  0.261249D+01  0.663150D+01
                91            92            93            94            95 
      1  -0.122736D+01 -0.130697D+01 -0.316717D+00  0.496617D+01  0.220834D+02
      2  -0.161224D+00  0.630441D+00 -0.460856D+01 -0.100603D+02 -0.289603D+02
      3   0.138858D+01  0.676529D+00  0.492528D+01  0.509410D+01  0.687690D+01
      4  -0.715848D+01 -0.286362D+01 -0.134991D+02 -0.164746D+01 -0.564371D+01
      5  -0.312810D+01 -0.313809D+01 -0.213764D+01 -0.258955D+01  0.195196D+01
      6  -0.139280D+02 -0.364854D+01 -0.711170D+01 -0.296387D+01  0.321716D+02
                96            97            98            99           100 
      1  -0.174863D+02 -0.184952D+01 -0.238377D+02  0.666099D+01 -0.319793D+01
      2   0.315978D+02 -0.210502D+01  0.363280D+02 -0.111807D+02  0.416236D-01
      3  -0.141115D+02  0.395454D+01 -0.124903D+02  0.451968D+01  0.315631D+01
      4  -0.366390D+01 -0.161002D+02 -0.188179D+01 -0.978855D+01  0.845227D+01
      5   0.567827D+00 -0.251465D+01 -0.191222D+01 -0.485904D+00 -0.726100D+01
      6  -0.115677D+02 -0.101721D+02 -0.161076D+02  0.248541D+01  0.110842D+02
               101           102           103           104           105 
      1  -0.246174D+01 -0.111032D+02 -0.824864D+01  0.145328D+02  0.137432D+02
      2   0.410972D+01  0.993169D+01  0.143237D+02 -0.196588D+02 -0.286630D+02
      3  -0.164798D+01  0.117147D+01 -0.607502D+01  0.512598D+01  0.149198D+02
      4  -0.436151D+01  0.101217D+02 -0.746645D+01  0.149840D+02  0.118325D+02
      5  -0.606056D+00 -0.435327D+01 -0.129604D+01  0.107572D+02  0.131491D+01
      6   0.825061D+01  0.900425D+01  0.874087D+01 -0.290326D+02 -0.929499D+01
               106           107           108           109           110 
      1  -0.147507D+02  0.176859D+02  0.659571D+00 -0.924901D+01  0.311368D+01
      2   0.141072D+02 -0.307656D+02 -0.520825D+01  0.129993D+02 -0.269847D+01
      3   0.643568D+00  0.130797D+02  0.454867D+01 -0.375031D+01 -0.415204D+00
      4   0.102759D+02  0.163057D+02  0.128981D+02  0.368802D+01  0.416334D+01
      5  -0.638074D+01  0.446296D+01  0.157120D+00  0.906982D+01  0.376875D+01
      6   0.127271D+02 -0.122450D+02 -0.251488D+01 -0.367099D+01 -0.642006D+01
               111           112           113           114           115 
      1   0.123267D+02  0.642721D+01 -0.166787D+02 -0.675761D+01  0.838763D+01
      2  -0.605057D+01 -0.949938D+01  0.164258D+02  0.149787D+02 -0.192114D+01
      3  -0.627615D+01  0.307218D+01  0.252999D+00 -0.822114D+01 -0.646649D+01
      4  -0.355162D+01  0.484421D+01 -0.742422D+01 -0.662588D+01 -0.524592D+01
      5  -0.163782D+01  0.398964D+01 -0.901551D+01 -0.300806D+01 -0.826308D+00
      6  -0.572882D+01 -0.525629D+01  0.112774D+02  0.426760D+01 -0.422386D+01
               116           117           118           119           120 
      1  -0.247878D+01  0.411518D+01 -0.401633D+01 -0.719255D+01  0.187499D+01
      2   0.665119D+01  0.474717D+01  0.503323D+01  0.653945D+01 -0.303557D+01
      3  -0.417241D+01 -0.886235D+01 -0.101690D+01  0.653101D+00  0.116059D+01
      4  -0.414313D+01 -0.307880D+01 -0.251605D+01  0.407336D+01  0.585097D-01
      5  -0.103093D+01 -0.120494D+01  0.568208D+00  0.135816D+01  0.699562D+00
      6   0.147979D+01 -0.719399D+01 -0.194367D+01 -0.223160D+01  0.132807D+01
               121           122           123           124           125 
      1  -0.571413D+01 -0.155115D+02  0.674198D+01  0.361391D+01  0.112469D+02
      2   0.133790D+01  0.288267D+02 -0.997101D+01 -0.163078D+01 -0.152098D+02
      3   0.437623D+01 -0.133152D+02  0.322903D+01 -0.198313D+01  0.396294D+01
      4   0.864899D+01 -0.209021D+02  0.545553D+01 -0.237512D+01  0.106015D+02
      5   0.170719D+00  0.670680D+01 -0.644854D+01  0.311932D+01 -0.911739D+01
      6  -0.606977D+00 -0.107578D+02  0.900222D+01 -0.139552D+01  0.125477D+02
               126           127           128           129           130 
      1  -0.642226D+01  0.360244D+02 -0.146133D+02 -0.115971D+02 -0.753792D+01
      2   0.773222D+01 -0.143942D+02  0.154199D+01  0.471617D+01 -0.377503D+01
      3  -0.130996D+01 -0.216303D+02  0.130713D+02  0.688091D+01  0.113130D+02
      4  -0.763342D+01 -0.353423D+02  0.244137D+02  0.147544D+02  0.235123D+02
      5   0.933778D+01 -0.212944D+02  0.119758D+02  0.144638D+02  0.960327D+01
      6  -0.115100D+02  0.112117D+02 -0.718292D+01 -0.725466D+01 -0.801323D+01
               131           132           133           134           135 
      1   0.484613D+01  0.286191D+01 -0.145607D+02  0.702161D+01  0.695204D+01
      2   0.710965D+01  0.116447D+01  0.671621D+01 -0.182162D+01 -0.416662D+01
      3  -0.119558D+02 -0.402638D+01  0.784453D+01 -0.520000D+01 -0.278542D+01
      4  -0.247664D+02 -0.109103D+02  0.212964D+02 -0.168784D+02 -0.164724D+02
      5  -0.958347D+01 -0.766210D+01  0.203865D+02 -0.140151D+02 -0.187446D+02
      6   0.778833D+01  0.789850D+01 -0.117791D+02  0.115658D+02  0.122022D+02
               136           137           138           139           140 
      1   0.230350D+02  0.905688D+01 -0.459663D+01  0.154999D+02  0.772359D+01
      2  -0.133288D+02 -0.479169D+01  0.313265D+01 -0.751532D+01 -0.312620D+01
      3  -0.970620D+01 -0.426519D+01  0.146398D+01 -0.798461D+01 -0.459739D+01
      4   0.808365D+01  0.712602D+01 -0.416956D+01  0.104252D+02  0.184145D+02
      5  -0.556918D+01 -0.430539D+01  0.744738D+01 -0.627487D+01 -0.856906D+01
      6  -0.144216D+01 -0.778473D+00  0.244879D+00 -0.107064D+01 -0.233051D+01
               141           142           143           144           145 
      1  -0.548109D+01 -0.113454D+02 -0.656314D+01  0.835224D+01  0.682899D+02
      2   0.238776D+01  0.714277D+01  0.518058D+01 -0.703914D+01 -0.393504D+02
      3   0.309333D+01  0.420268D+01  0.138256D+01 -0.131310D+01 -0.289395D+02
      4  -0.758966D+01 -0.746462D+01 -0.111247D+02  0.700695D+01 -0.173665D+02
      5   0.800470D+01  0.131257D+02  0.852516D+01 -0.147313D+02  0.305732D+02
      6   0.225047D+01  0.798066D+00  0.252844D+01 -0.146959D+01 -0.656161D+01
               146           147           148           149           150 
      1  -0.698298D+01  0.219380D+02 -0.871486D+01  0.838928D+01 -0.377663D+01
      2   0.292436D+01 -0.142332D+02  0.289376D+01 -0.374722D+01  0.172715D+01
      3   0.405862D+01 -0.770481D+01  0.582110D+01 -0.464206D+01  0.204948D+01
      4   0.101612D+02 -0.649949D+01  0.163579D+02 -0.722884D+01  0.521525D+01
      5  -0.490659D+01  0.186159D+02 -0.599165D+01  0.466678D+01 -0.313973D+01
      6   0.183923D+01 -0.355121D+01  0.410712D+01 -0.198847D+01  0.374884D+01
               151           152           153           154           155 
      1   0.314901D+02 -0.415019D+01  0.178156D+02  0.579802D+01 -0.404601D+01
      2  -0.222799D+02  0.224278D+01 -0.150355D+02  0.224071D+01  0.124717D+02
      3  -0.921023D+01  0.190741D+01 -0.278009D+01 -0.803873D+01 -0.842567D+01
      4  -0.108569D+02  0.446482D+01 -0.569667D+01  0.246138D+02  0.125073D+02
      5   0.288349D+02 -0.339735D+01  0.218685D+02  0.556184D+01  0.196086D+01
      6  -0.564040D+01  0.311537D+01 -0.472103D+01  0.994901D+01  0.444751D+01
               156           157           158           159           160 
      1   0.180227D+01 -0.362243D+01 -0.557547D+01 -0.100364D+01  0.682982D+00
      2   0.156837D+01  0.833394D+01  0.118251D+02  0.161500D+01  0.174891D+01
      3  -0.337064D+01 -0.471151D+01 -0.624966D+01 -0.611356D+00 -0.243189D+01
      4   0.971244D+01  0.734171D+01  0.101498D+02  0.311342D+01  0.150638D+02
      5   0.471732D+01  0.115401D+01  0.181021D+01  0.996802D+00  0.563999D+01
      6   0.876176D+01  0.260249D+01  0.273463D+01  0.500378D+01  0.105842D+02
               161           162           163           164           165 
      1  -0.236406D+01 -0.242447D+01 -0.443032D+01  0.479748D+00  0.105566D+00
      2   0.606440D+01  0.372828D+01  0.824599D+01  0.569189D+00 -0.160665D+00
      3  -0.370034D+01 -0.130381D+01 -0.381567D+01 -0.104894D+01  0.550986D-01
      4   0.743459D+01  0.995934D+01  0.236631D+01  0.138819D+02 -0.393539D+01
      5   0.285294D+01  0.531198D+01 -0.214253D+00 -0.279612D+01  0.308307D+01
      6   0.100389D+02  0.138782D+02 -0.377961D+01 -0.642068D+00  0.111308D+01
               166           167           168           169           170 
      1  -0.252378D+01 -0.428535D+02  0.155428D+02  0.241438D+01  0.242795D+02
      2   0.532661D+01  0.726119D+02 -0.235072D+02 -0.300077D+01 -0.336662D+02
      3  -0.280283D+01 -0.297583D+02  0.796434D+01  0.586391D+00  0.938665D+01
      4   0.897265D+01  0.692260D+01 -0.265019D+01 -0.328376D+01 -0.357424D+01
      5  -0.892947D+00 -0.827517D+00  0.692130D+00  0.260535D+01  0.152773D+01
      6  -0.227665D+01 -0.324497D+02  0.192725D+02  0.377477D+01  0.293295D+02
               171           172           173           174           175 
      1  -0.156402D+02  0.175187D+02  0.131601D+01  0.653088D+01  0.371744D+01
      2   0.184244D+02 -0.638103D+01 -0.844789D+01 -0.312331D+01 -0.712723D+01
      3  -0.278419D+01 -0.111377D+02  0.713188D+01 -0.340757D+01  0.340979D+01
      4   0.344981D+01 -0.260154D+02  0.115442D+02 -0.896231D+01  0.590863D+01
      5  -0.120802D+01  0.872830D+01 -0.135873D+01  0.713164D+01 -0.119898D+00
      6  -0.223145D+02 -0.929396D+01  0.191295D+01 -0.819764D+01  0.360017D+00
               176           177           178           179           180 
      1   0.730817D+00  0.100440D+01  0.835565D+01  0.313908D+00  0.287789D+01
      2   0.238326D+01 -0.723485D+00 -0.506820D+01 -0.327973D+01 -0.157348D+01
      3  -0.311408D+01 -0.280912D+00 -0.328745D+01  0.296582D+01 -0.130441D+01
      4  -0.758581D+01  0.111769D+01 -0.150999D+02  0.486816D+01 -0.101738D+02
      5   0.162992D+01 -0.432916D+00  0.922832D+01 -0.305247D+01  0.866852D+01
      6  -0.109596D+01  0.256867D+01 -0.107917D+02  0.644069D+01 -0.120725D+02
               181           182           183           184           185 
      1  -0.196906D+01  0.589437D+00  0.119812D+01  0.549422D+01 -0.324770D+02
      2   0.841711D+01 -0.777721D+01 -0.327910D+01 -0.144398D+02  0.596374D+02
      3  -0.644805D+01  0.718777D+01  0.208098D+01  0.894559D+01 -0.271604D+02
      4  -0.124428D+02  0.178998D+02  0.639981D+01  0.155310D+02 -0.271729D+02
      5  -0.273473D+01  0.452670D+01  0.456994D+01  0.310080D+01 -0.747643D+01
      6   0.584042D+01 -0.657489D+01 -0.498094D+01 -0.863098D+01  0.289159D+02
               186           187           188           189           190 
      1  -0.117933D+02  0.521108D+01 -0.180352D+02 -0.117326D+02  0.316434D+02
      2   0.194860D+02 -0.816665D+01  0.269695D+02  0.145212D+02 -0.192622D+02
      3  -0.769275D+01  0.295557D+01 -0.893433D+01 -0.278854D+01 -0.123811D+02
      4  -0.106273D+02  0.846419D+01 -0.157250D+02 -0.113730D+02 -0.597583D+00
      5  -0.455318D+01  0.563321D+01 -0.775159D+01 -0.683521D+01 -0.858779D+01
      6   0.177681D+02 -0.999820D+01  0.262803D+02  0.212540D+02 -0.244701D+00
               191           192           193           194           195 
      1  -0.752966D+01 -0.816670D+01 -0.150226D+02  0.902545D+01  0.685706D+01
      2   0.532058D+01  0.595666D+01  0.908675D+01 -0.712103D+01 -0.423832D+01
      3   0.220908D+01  0.221004D+01  0.593581D+01 -0.190442D+01 -0.261874D+01
      4   0.615649D+01  0.285821D+01  0.675268D+01 -0.108726D+02 -0.409663D+01
      5   0.443870D+01  0.913337D+01  0.642383D+01 -0.606411D+01 -0.620705D+01
      6   0.255595D+00  0.156195D+01  0.467429D+00  0.294709D+00  0.563599D+00
               196           197           198           199           200 
      1  -0.162560D+02  0.737248D+01  0.107935D+02  0.493904D+02  0.132421D+02
      2   0.118286D+02 -0.712272D+01 -0.948358D+01 -0.244349D+02 -0.385476D+01
      3   0.442735D+01 -0.249756D+00 -0.130993D+01 -0.249555D+02 -0.938730D+01
      4   0.359122D+01 -0.612028D+01 -0.233378D+01  0.325068D+02  0.173740D+02
      5   0.147298D+02 -0.533434D+01 -0.146666D+02  0.241452D+02  0.956019D+01
      6   0.239705D+01  0.929206D+00 -0.232752D+01  0.113048D+02  0.517604D+01
               201           202           203           204           205 
      1   0.156573D+02  0.118046D+02  0.751758D+01  0.499093D+01  0.215567D+02
      2  -0.872632D+01 -0.664376D+00  0.110937D+01 -0.105865D+01 -0.131322D+02
      3  -0.693098D+01 -0.111403D+02 -0.862695D+01 -0.393228D+01 -0.842452D+01
      4   0.125691D+02  0.231769D+02  0.183037D+02  0.938551D+01  0.205317D+02
      5   0.160118D+02  0.100182D+02  0.776044D+01  0.634715D+01  0.249531D+02
      6   0.676773D+01  0.763969D+01  0.589840D+01  0.634518D+01  0.113623D+02
               206           207           208           209           210 
      1   0.725725D+01  0.128962D+02 -0.714503D+01  0.842794D+01  0.365429D+01
      2  -0.307259D+01 -0.101155D+02  0.770657D+01 -0.111261D+02 -0.559509D+01
      3  -0.418466D+01 -0.278072D+01 -0.561543D+00  0.269819D+01  0.194080D+01
      4   0.110332D+02  0.130201D+02 -0.354697D+01  0.405479D+01  0.966437D+00
      5   0.912386D+01  0.199420D+02  0.491350D+00 -0.160292D+01 -0.195722D-01
      6   0.698751D+01  0.101075D+02  0.345592D+01 -0.476057D+01 -0.368800D+01
               211           212           213           214           215 
      1   0.513240D+01 -0.204450D+02 -0.767677D+01  0.578478D+01 -0.137374D+02
      2  -0.411208D+01  0.341755D+02  0.104925D+02 -0.487115D+01  0.180708D+02
      3  -0.102032D+01 -0.137305D+02 -0.281572D+01 -0.913631D+00 -0.433347D+01
      4   0.637310D+01  0.108023D+02  0.930168D+00  0.255028D+01  0.351084D+01
      5  -0.866430D+00  0.333743D+01  0.407764D+01  0.114924D+01  0.614344D+01
      6  -0.289230D+01  0.106988D+02  0.973212D+01 -0.158646D+01  0.145271D+02
               216           217           218           219           220 
      1  -0.926544D+01  0.146098D+02  0.729037D+01 -0.384864D+01  0.145862D+01
      2   0.105804D+02  0.402566D+00  0.658625D+01 -0.178022D+01  0.106537D+02
      3  -0.131500D+01 -0.150123D+02 -0.138766D+02  0.562886D+01 -0.121123D+02
      4   0.318963D+01  0.302788D+02  0.276678D+02 -0.137880D+02  0.238285D+02
      5   0.611613D+01 -0.128957D+02 -0.112311D+02  0.103764D+02 -0.872232D+01
      6   0.135080D+02 -0.108924D+02 -0.102357D+02  0.790653D+01 -0.104246D+02
               221           222           223           224           225 
      1  -0.638123D+01  0.168529D+01 -0.310880D+01  0.108936D+01 -0.186602D+01
      2   0.249477D+02 -0.732557D+01 -0.315877D+01 -0.811076D+01  0.465073D+01
      3  -0.185665D+02  0.564028D+01  0.626757D+01  0.702140D+01 -0.278471D+01
      4   0.338999D+02 -0.138722D+02 -0.187092D+02 -0.223599D+02  0.170783D+02
      5  -0.121418D+02  0.831479D+01  0.134745D+02  0.145213D+02 -0.150288D+02
      6  -0.153281D+02  0.119893D+02  0.122761D+02  0.184739D+02 -0.165628D+02
               226           227           228           229           230 
      1  -0.600552D+01  0.977882D+01 -0.719675D+01  0.634783D+01 -0.140955D+02
      2   0.512272D+01 -0.936569D+01  0.451318D+01 -0.522679D+01  0.179972D+02
      3   0.882804D+00 -0.413133D+00  0.268357D+01 -0.112104D+01 -0.390173D+01
      4  -0.100385D+02  0.273630D+01 -0.236215D+01  0.730652D+01 -0.458957D+01
      5   0.338404D+01 -0.225231D+01  0.150826D+01 -0.160721D+01  0.211702D+01
      6  -0.461108D+01  0.121964D+02 -0.877074D+01  0.556006D+01 -0.135511D+02
               231           232           233           234           235 
      1   0.818538D+01 -0.272786D+01  0.580405D+01 -0.748773D+01  0.160510D+01
      2  -0.681021D+01  0.145584D+01 -0.245208D+01  0.148485D+01 -0.505528D+01
      3  -0.137517D+01  0.127201D+01 -0.335197D+01  0.600288D+01  0.345018D+01
      4   0.343241D+01 -0.132994D+01  0.402417D+01 -0.325076D+01  0.272924D+01
      5  -0.478756D+00  0.203802D+01 -0.106383D+01  0.346735D+00 -0.629921D+01
      6   0.976715D+01 -0.438095D+01  0.753042D+01 -0.901920D+01 -0.216929D+01
               236           237           238           239           240 
      1   0.252920D+00 -0.585887D+00 -0.350920D+00 -0.697473D-01 -0.130590D+01
      2   0.704575D+00  0.710549D+01  0.155648D+01 -0.384664D+01 -0.616023D+01
      3  -0.957495D+00 -0.651960D+01 -0.120556D+01  0.391638D+01  0.746613D+01
      4   0.255932D+01 -0.153486D+01 -0.223280D+01 -0.602467D+01  0.918720D+00
      5  -0.394481D+00  0.934695D+01  0.232541D+01 -0.527445D-01 -0.465251D+01
      6  -0.219945D+00  0.327608D+01  0.198742D+01  0.265196D+01 -0.432481D+00
               241           242           243           244           245 
      1   0.564448D+00  0.233731D+01 -0.111775D+02  0.105084D+02 -0.377208D+01
      2   0.521266D+01 -0.253380D+01 -0.182691D+02 -0.656419D+01  0.357168D+01
      3  -0.577711D+01  0.196490D+00  0.294466D+02 -0.394420D+01  0.200398D+00
      4  -0.335740D+01 -0.310908D+01  0.338797D+00 -0.786408D+01  0.825278D+01
      5   0.714959D+01  0.863475D+00 -0.162517D+02  0.773795D+01 -0.609239D+01
      6   0.279860D+01  0.480602D+01 -0.136159D+02 -0.338877D+01  0.272796D+01
               246           247           248           249           250 
      1   0.318551D+01 -0.973115D+01  0.206502D+01 -0.345648D+01 -0.306741D+00
      2  -0.381745D+01  0.881863D+01 -0.301048D+01  0.641312D+01 -0.259069D+01
      3   0.631935D+00  0.912524D+00  0.945457D+00 -0.295664D+01  0.289743D+01
      4  -0.519485D+01  0.622537D+01 -0.157267D+02  0.662390D+01 -0.479413D+01
      5   0.682224D+01 -0.123341D+02  0.827154D+01 -0.102318D+02  0.574988D+01
      6  -0.194554D+01  0.509727D+01 -0.671264D+01  0.443725D+01 -0.208402D+01
               251           252           253           254           255 
      1  -0.402592D+00 -0.806820D+00 -0.582214D+01  0.100351D+01  0.362054D+01
      2   0.251410D+01 -0.520340D+01  0.250820D+01  0.168885D+00  0.183925D+01
      3  -0.211151D+01  0.601022D+01  0.331394D+01 -0.117239D+01 -0.545978D+01
      4   0.360701D+01 -0.508097D+01 -0.372955D+01 -0.278311D+00 -0.109761D+01
      5  -0.539996D+01  0.860668D+01 -0.267845D+01 -0.774655D+00 -0.110173D+00
      6   0.381130D+01 -0.272869D+01  0.715596D+00 -0.400892D+00 -0.205965D+01
               256           257           258           259           260 
      1   0.271698D+01 -0.402691D+01 -0.699766D+01  0.278838D+01 -0.406440D+01
      2  -0.177167D+01 -0.448130D-02 -0.126739D+01 -0.413667D+01 -0.157285D+01
      3  -0.945309D+00  0.403139D+01  0.826505D+01  0.134829D+01  0.563726D+01
      4   0.423123D+01  0.357134D+01  0.369746D+01  0.244744D+01  0.354090D+01
      5   0.208179D+01  0.388143D+01  0.586710D+01  0.590482D+01  0.315412D+01
      6   0.162185D+01  0.553040D+01  0.902095D+01  0.121419D+01  0.606402D+01
               261           262           263           264           265 
      1  -0.176193D+02  0.200016D+02  0.351544D+01 -0.703933D+01  0.180144D+01
      2  -0.118595D+02 -0.179434D+02 -0.631781D+01  0.956797D+01 -0.389337D+01
      3   0.294788D+02 -0.205821D+01  0.280237D+01 -0.252864D+01  0.209193D+01
      4   0.211350D+01 -0.122010D+02  0.582264D+01  0.606520D+01  0.259628D+00
      5   0.174340D+02 -0.185030D+02  0.177551D+01  0.116937D+02 -0.429230D+01
      6   0.120897D+02  0.592507D+01 -0.239729D+01 -0.539938D+01  0.357755D+00
               266           267           268           269           270 
      1   0.501947D+01 -0.129952D+00 -0.414213D+01  0.588303D+00  0.205303D+01
      2  -0.404181D+01  0.176614D+01  0.767474D+01 -0.116187D+01 -0.804591D+01
      3  -0.977668D+00 -0.163618D+01 -0.353261D+01  0.573564D+00  0.599288D+01
      4   0.860092D+00  0.988859D+00  0.190543D+01  0.211142D+00 -0.224546D+01
      5   0.485776D-01  0.288352D+01  0.850398D+01  0.653684D+00 -0.797831D+01
      6  -0.164166D+01 -0.436605D+00 -0.266245D+01  0.104808D+01  0.418833D+01
               271           272           273           274           275 
      1  -0.296003D+00 -0.616985D+01 -0.821697D+01 -0.153497D+01 -0.314544D+01
      2  -0.442977D+01  0.571325D+01 -0.149003D+01  0.131794D+01  0.517935D+00
      3   0.472577D+01  0.456600D+00  0.970699D+01  0.217029D+00  0.262751D+01
      4   0.438074D+01 -0.194046D+01  0.268908D+01 -0.169598D+00  0.178581D+01
      5   0.181290D+01 -0.878687D+00  0.259595D+01 -0.321389D+00  0.177176D+01
      6   0.177084D+01  0.574687D+01  0.854298D+01  0.229310D+01  0.348634D+01
               276           277           278           279           280 
      1  -0.278153D+01 -0.227150D+01 -0.672856D+01 -0.168232D+02  0.129350D+02
      2   0.847389D+00 -0.771995D+00  0.180476D+01 -0.126533D+02 -0.121492D+02
      3   0.193414D+01  0.304349D+01  0.492380D+01  0.294765D+02 -0.785786D+00
      4   0.139634D+01  0.333202D+01 -0.155261D+01  0.288733D+01  0.183817D+02
      5   0.606890D+00  0.380841D+01 -0.884119D+00 -0.370091D+01 -0.160722D+02
      6   0.632556D+01  0.105401D+01  0.817343D+01  0.209094D+02 -0.931734D+01
               281           282           283           284           285 
      1  -0.362691D+01 -0.276110D+01  0.567103D+00  0.347526D+01 -0.120879D+01
      2   0.637685D+01  0.562494D+01  0.147340D+01 -0.122410D+01  0.276234D+00
      3  -0.274993D+01 -0.286384D+01 -0.204050D+01 -0.225116D+01  0.932552D+00
      4   0.709865D+01 -0.938637D+01  0.326092D+01  0.302823D+01 -0.109397D+01
      5  -0.522574D+01  0.102999D+02 -0.568498D-01 -0.678493D+00 -0.603109D-01
      6  -0.564306D+01  0.821116D+01 -0.143334D+01  0.486482D+00  0.967919D+00
               286           287           288           289           290 
      1  -0.222043D+01 -0.118060D+01  0.301034D+00 -0.572786D+00  0.671929D+01
      2   0.548854D+01  0.263429D+01 -0.628894D+01 -0.419122D+01 -0.681798D+01
      3  -0.326810D+01 -0.145368D+01  0.598791D+01  0.476401D+01  0.986929D-01
      4  -0.434754D+01 -0.139482D+01  0.444361D+01 -0.322376D+01  0.101744D+01
      5   0.752892D+01  0.105660D+01 -0.665623D+01  0.243284D+01 -0.654073D+00
      6   0.436942D+01  0.202945D+01 -0.608316D+01 -0.334553D+01  0.566935D+01
               291           292           293           294           295 
      1  -0.672477D+01  0.180953D+01  0.106774D+00  0.143444D+00 -0.229275D+01
      2  -0.315134D+01 -0.214731D+01 -0.269132D+01 -0.747836D+00 -0.190370D+01
      3   0.987611D+01  0.337783D+00  0.258454D+01  0.604392D+00  0.419645D+01
      4  -0.440537D+01  0.336167D+00 -0.204096D+01  0.101832D+01 -0.335480D+01
      5   0.507701D+01 -0.324513D+00  0.235446D+01 -0.944141D+00  0.412392D+01
      6  -0.885607D+01  0.219411D+01 -0.810204D+00  0.381478D+01 -0.212292D+01
               296           297           298           299           300 
      1   0.654938D+01 -0.151309D+02  0.365679D+01  0.179826D+01  0.296570D+00
      2  -0.256790D+01 -0.143425D+02 -0.299081D+00 -0.472157D+00 -0.150354D+00
      3  -0.398148D+01  0.294734D+02 -0.335771D+01 -0.132611D+01 -0.146216D+00
      4  -0.115903D+00 -0.354577D+01  0.663723D+01  0.680772D+01  0.397485D+01
      5  -0.192734D+00  0.173576D+01  0.273152D+01  0.427298D+01  0.369111D+01
      6   0.783278D+01 -0.211363D+02  0.246983D+01  0.257106D+01  0.173967D+01
               301           302           303           304           305 
      1   0.798364D+01 -0.409971D+01 -0.378698D+00 -0.230794D+01 -0.221682D+01
      2  -0.595711D+01  0.372462D+01 -0.264824D+01  0.437801D-01 -0.568919D+00
      3  -0.202653D+01  0.375096D+00  0.302694D+01  0.226416D+01  0.278574D+01
      4   0.779893D+01  0.193338D+02  0.951839D+01  0.360091D+01  0.494349D+01
      5   0.969333D+01  0.102060D+02  0.100394D+02  0.379819D+01  0.539730D+01
      6   0.644763D+01  0.113847D+02  0.759721D+01  0.208083D+01  0.578142D+01
               306           307           308           309           310 
      1  -0.359306D+01 -0.547524D+01 -0.173840D+01  0.165053D+01 -0.539886D+01
      2  -0.243183D+01  0.262473D+01  0.872005D+00  0.152733D+01  0.477929D+01
      3   0.602489D+01  0.285051D+01  0.866397D+00 -0.317787D+01  0.619576D+00
      4   0.550830D+01  0.334402D+00  0.712902D+00  0.164970D+00  0.374572D+01
      5   0.764543D+01 -0.152341D+01 -0.909387D+00  0.142571D+01 -0.418340D+01
      6   0.482899D+01 -0.177950D+01  0.474998D+00  0.762421D-01  0.172775D+01
               311           312           313           314           315 
      1  -0.366009D+01  0.542202D+01  0.289477D+01  0.300184D+01 -0.162028D+02
      2  -0.849087D+00  0.397189D+01 -0.562799D+01  0.211954D+01 -0.132499D+02
      3   0.450917D+01 -0.939391D+01  0.273322D+01 -0.512138D+01  0.294527D+02
      4  -0.323239D+01  0.483105D+01 -0.137420D+01  0.346807D+01 -0.325952D+01
      5   0.428736D+01 -0.787368D+01  0.699466D+01 -0.291191D+01  0.199218D+02
      6  -0.398143D+01  0.751852D+01 -0.964521D+00  0.498682D+01 -0.728719D+01
               316           317           318           319           320 
      1  -0.579261D+01 -0.767010D+01 -0.510001D+01 -0.696943D+01 -0.186860D+02
      2   0.559957D+01  0.618476D+01  0.285058D+01  0.477505D+01  0.218809D+02
      3   0.193046D+00  0.148534D+01  0.224943D+01  0.219438D+01 -0.319490D+01
      4   0.511764D+01  0.488383D-01 -0.628867D+00  0.588390D+01 -0.293452D+01
      5   0.208033D+01 -0.150984D-01 -0.230086D+00  0.104956D+01 -0.135618D+01
      6   0.137459D+01  0.916245D+01  0.615960D+01  0.257530D+01  0.175624D+02
               321           322           323           324           325 
      1  -0.105532D+02 -0.116355D+01 -0.780965D+01 -0.852297D+01  0.221478D+01
      2   0.852040D+01  0.781027D+00  0.424064D+01  0.250410D+01 -0.515515D+01
      3   0.203282D+01  0.382520D+00  0.356901D+01  0.601887D+01  0.294037D+01
      4  -0.881793D+00 -0.245725D+00  0.146896D+01  0.627975D+00 -0.498900D+00
      5  -0.214539D+01  0.105794D+01 -0.639498D+00 -0.195398D+01 -0.561151D+01
      6   0.115283D+02  0.268111D+01  0.853327D+01  0.883814D+01 -0.623533D-02
               326           327           328           329           330 
      1  -0.926236D-01 -0.110774D+01  0.276707D+01 -0.295254D+01  0.907376D+00
      2  -0.629329D+00  0.553230D+01 -0.372604D+01 -0.145897D+01  0.796556D+01
      3   0.721953D+00 -0.442457D+01  0.958968D+00  0.441151D+01 -0.887294D+01
      4   0.589313D+00 -0.444622D+00 -0.323329D+01  0.594845D+01 -0.513620D+00
      5  -0.121109D+01  0.839053D+01 -0.440237D+01 -0.410361D+00  0.698333D+01
      6   0.564260D+00 -0.955338D+00  0.201491D+01 -0.208724D+01  0.532568D+00
               331           332           333 
      1  -0.624990D+00 -0.670739D+00 -0.114592D+02
      2   0.618132D+01  0.233126D+01 -0.180004D+02
      3  -0.555633D+01 -0.166052D+01  0.294596D+02
      4   0.270873D+01 -0.331774D+01  0.144538D+01
      5   0.791884D+01 -0.455278D-01 -0.191959D+02
      6  -0.198854D+01  0.405462D+01  0.902492D+01
 Leave Link  716 at Fri Jul 23 00:30:41 2021, MaxMem=  5637144576 cpu:               3.7 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.158796D+03 -0.346001D-02 -0.135859D-03
      2  -0.346001D-02  0.158741D+03  0.384220D-02
      3  -0.135859D-03  0.384220D-02  0.122187D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.345509D+01 -0.416354D-01 -0.175621D-01
      2   0.139178D-01  0.342677D+01 -0.989967D-02
      3   0.460833D-01  0.123918D-01 -0.590801D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.347695D+02 -0.858575D+02 -0.773154D-02
      2  -0.348016D+02  0.858744D+02  0.977656D-02
      3   0.321422D-01 -0.168813D-01 -0.204503D-02
      4  -0.858294D+02 -0.348248D+02  0.396315D-02
      5  -0.104239D-01  0.619632D+01  0.168506D-01
      6  -0.618241D+01  0.113362D-02 -0.127802D-01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.102955D+01  0.243966D+01 -0.179546D+01  0.851952D+00  0.114646D+01
      2   0.243966D+01  0.270966D+01 -0.368190D+01  0.114646D+01  0.368422D+01
      3  -0.179546D+01 -0.368190D+01 -0.844052D-01 -0.365848D+01 -0.643669D+00
                 6             7             8             9            10 
      1  -0.365848D+01 -0.199446D+01 -0.487975D+01  0.433418D+00  0.494851D+01
      2  -0.643669D+00 -0.487975D+01 -0.144050D+01  0.292416D+01  0.703745D+00
      3   0.179335D+01  0.433418D+00  0.292416D+01 -0.333179D+00  0.260019D+01
                11            12            13            14            15 
      1   0.703745D+00  0.260019D+01  0.261168D+01  0.153846D+01  0.345208D+01
      2   0.432818D+00  0.344053D+01  0.153846D+01 -0.215900D+00 -0.166349D+00
      3   0.344053D+01  0.170667D+01  0.345208D+01 -0.166349D+00 -0.560955D+00
                16            17            18            19            20 
      1   0.396814D+01  0.433452D+01  0.293810D+01 -0.106776D+02 -0.225669D+01
      2   0.433452D+01 -0.544747D+00 -0.357567D+00 -0.225669D+01  0.307515D+00
      3   0.293810D+01 -0.357567D+00  0.333798D+00 -0.453720D+01 -0.242072D+01
                21            22            23            24            25 
      1  -0.453720D+01 -0.493546D+01 -0.844119D+00 -0.303934D+01 -0.306968D+01
      2  -0.242072D+01 -0.844119D+00 -0.155938D+01  0.964304D-02 -0.144031D+01
      3  -0.185264D+01 -0.303934D+01  0.964304D-02  0.256410D+00 -0.221109D+01
                26            27            28            29            30 
      1  -0.144031D+01 -0.221109D+01 -0.706157D+00  0.181463D+01  0.171367D-01
      2   0.123245D+00  0.992621D+00  0.181463D+01  0.732962D+00 -0.177658D+01
      3   0.992621D+00  0.796084D+00  0.171367D-01 -0.177658D+01 -0.317203D-02
                31            32            33            34            35 
      1   0.182918D+01  0.744037D+00  0.180244D+01 -0.297829D-01 -0.466736D-02
      2   0.744037D+00 -0.183919D+01 -0.143912D-02 -0.466736D-02 -0.243223D-01
      3   0.180244D+01 -0.143912D-02 -0.402019D-02  0.106021D-02 -0.172174D-02
                36            37            38            39            40 
      1   0.106021D-02 -0.256121D+01 -0.276410D+01  0.169478D+01 -0.974887D+00
      2  -0.172174D-02 -0.276410D+01 -0.641403D+01  0.380236D+01 -0.414624D+01
      3  -0.352229D-03  0.169478D+01  0.380236D+01 -0.239020D+00  0.319359D+01
                41            42            43            44            45 
      1  -0.414624D+01  0.319359D+01  0.863086D+00  0.206702D+01  0.367625D+00
      2  -0.730807D+01  0.281662D+01  0.206702D+01  0.213086D+01 -0.239850D+01
      3   0.281662D+01 -0.185624D+01  0.367625D+00 -0.239850D+01 -0.793094D+00
                46            47            48            49            50 
      1   0.119874D+02  0.727969D+00  0.557945D+01 -0.211899D+01  0.902140D-01
      2   0.727969D+00 -0.332389D+00 -0.958455D+00  0.902140D-01 -0.148296D+01
      3   0.557945D+01 -0.958455D+00  0.173042D+01 -0.156176D+01 -0.106247D+01
                51            52            53            54            55 
      1  -0.156176D+01  0.359120D+01 -0.475463D+00  0.189307D+01 -0.564462D+01
      2  -0.106247D+01 -0.475463D+00 -0.622894D+00  0.152253D+01 -0.317534D+00
      3   0.726949D+00  0.189307D+01  0.152253D+01 -0.790891D+00 -0.411582D+01
                56            57            58            59            60 
      1  -0.317534D+00 -0.411582D+01  0.182273D+01 -0.757206D+00  0.233192D+01
      2  -0.169193D+00  0.231513D+01 -0.757206D+00 -0.860470D+00  0.168164D+01
      3   0.231513D+01 -0.150933D+01  0.233192D+01  0.168164D+01 -0.970129D+00
                61            62            63            64            65 
      1  -0.580342D+01  0.266731D+01 -0.275219D+01 -0.267731D+01  0.288203D+01
      2   0.266731D+01  0.238438D+01 -0.108444D+01  0.288203D+01 -0.209938D+01
      3  -0.275219D+01 -0.108444D+01 -0.337906D+00  0.351506D+01 -0.292393D+01
                66            67            68            69            70 
      1   0.351506D+01  0.962034D+00 -0.995693D+00 -0.290857D+01  0.433717D+01
      2  -0.292393D+01 -0.995693D+00  0.249538D+01 -0.108440D+01 -0.411471D+01
      3  -0.372378D+00 -0.290857D+01 -0.108440D+01  0.175351D+01 -0.116591D+01
                71            72            73            74            75 
      1  -0.411471D+01 -0.116591D+01  0.490298D+01 -0.457073D+01 -0.349385D+01
      2  -0.925290D+00  0.271802D+01 -0.457073D+01  0.588138D+01  0.363757D+01
      3   0.271802D+01  0.337413D+00 -0.349385D+01  0.363757D+01  0.701944D+00
                76            77            78            79            80 
      1  -0.225096D+01  0.415279D+01  0.302590D+01 -0.192592D+01  0.210250D+01
      2   0.415279D+01 -0.347799D+01 -0.102816D+01  0.210250D+01 -0.102848D+01
      3   0.302590D+01 -0.102816D+01 -0.173030D+01  0.251150D+00 -0.240956D+01
                81            82            83            84            85 
      1   0.251150D+00 -0.121494D+01  0.911752D+00  0.123024D+01  0.125405D+01
      2  -0.240956D+01  0.911752D+00  0.779935D+00 -0.293775D+00  0.365780D+01
      3   0.790918D+00  0.123024D+01 -0.293775D+00  0.114831D+01 -0.909134D+00
                86            87            88            89            90 
      1   0.365780D+01 -0.909134D+00  0.555716D+00 -0.658446D+00  0.196320D+01
      2   0.109424D+02 -0.574918D+01 -0.658446D+00 -0.353115D+01  0.141807D+01
      3  -0.574918D+01  0.147094D+01  0.196320D+01  0.141807D+01  0.794830D+00
                91            92            93            94            95 
      1  -0.119831D+01 -0.408338D+00 -0.245750D+01 -0.405702D+00 -0.162271D+01
      2  -0.408338D+00  0.596487D+00 -0.541448D+00 -0.162271D+01 -0.545490D+01
      3  -0.245750D+01 -0.541448D+00 -0.133830D+01 -0.523623D+00  0.489121D+01
                96            97            98            99           100 
      1  -0.523623D+00 -0.316825D+01 -0.219990D+00 -0.177877D+01  0.162485D+01
      2   0.489121D+01 -0.219990D+00  0.659199D+01 -0.236610D+01 -0.587841D+00
      3  -0.120292D+01 -0.177877D+01 -0.236610D+01  0.328654D+00  0.224219D+01
               101           102           103           104           105 
      1  -0.587841D+00  0.224219D+01 -0.114614D+01  0.258947D+01  0.135290D+01
      2   0.439519D+00  0.133828D+01  0.258947D+01 -0.436087D+01 -0.467889D+01
      3   0.133828D+01  0.160028D+01  0.135290D+01 -0.467889D+01 -0.816442D+00
               106           107           108           109           110 
      1   0.264702D+01  0.220841D+01  0.232230D+01 -0.326437D+00  0.265895D+01
      2   0.220841D+01 -0.606520D+01 -0.183264D+01  0.265895D+01 -0.236024D+01
      3   0.232230D+01 -0.183264D+01 -0.326959D+00 -0.486387D+00 -0.193564D+01
               111           112           113           114           115 
      1  -0.486387D+00  0.371913D+01 -0.506322D+01 -0.254841D+01  0.105860D-01
      2  -0.193564D+01 -0.506322D+01  0.819656D+01  0.501019D+01 -0.158553D+01
      3  -0.149286D+01 -0.254841D+01  0.501019D+01  0.113448D+01 -0.226734D+01
               116           117           118           119           120 
      1  -0.158553D+01 -0.226734D+01 -0.468594D+00 -0.947063D+00  0.279841D+00
      2   0.293715D+01  0.875722D+00 -0.947063D+00 -0.401263D+00  0.418793D+00
      3   0.875722D+00 -0.800836D+00  0.279841D+00  0.418793D+00 -0.274046D+00
               121           122           123           124           125 
      1  -0.146527D+01  0.552427D+00  0.109313D+00  0.741454D+00  0.261069D+00
      2   0.552427D+00 -0.510890D+01  0.163596D+01  0.261069D+00  0.276812D+01
      3   0.109313D+00  0.163596D+01 -0.148466D+01  0.255377D+00 -0.200862D+01
               126           127           128           129           130 
      1   0.255377D+00  0.695771D+01 -0.337278D+01 -0.242705D+01 -0.269683D+01
      2  -0.200862D+01 -0.337278D+01  0.280268D+01  0.143748D+01  0.278074D+01
      3   0.210506D+01 -0.242705D+01  0.143748D+01  0.174381D+01  0.134967D+01
               131           132           133           134           135 
      1   0.278074D+01  0.134967D+01 -0.399193D+01  0.284597D+01  0.278431D+01
      2  -0.348352D+01 -0.119633D+01  0.284597D+01 -0.209004D+01 -0.219569D+01
      3  -0.119633D+01 -0.119286D+01  0.278431D+01 -0.219569D+01 -0.267223D+01
               136           137           138           139           140 
      1   0.308803D+01  0.131154D+01 -0.699433D+00  0.234785D+01  0.125957D+01
      2   0.131154D+01  0.957211D+00 -0.525017D+00  0.125957D+01  0.289514D+01
      3  -0.699433D+00 -0.525017D+00  0.861152D+00 -0.831390D+00 -0.121602D+01
               141           142           143           144           145 
      1  -0.831390D+00 -0.149603D+01 -0.101384D+01  0.160484D+01  0.997184D+01
      2  -0.121602D+01 -0.101384D+01 -0.200463D+01  0.123228D+01 -0.122075D+01
      3   0.123830D+01  0.160484D+01  0.123228D+01 -0.210218D+01  0.320127D+01
               146           147           148           149           150 
      1  -0.122075D+01  0.320127D+01 -0.171424D+01  0.175531D+01 -0.671660D+00
      2   0.129155D+01 -0.583137D+00  0.175531D+01 -0.867779D+00  0.422688D+00
      3  -0.583137D+00  0.207548D+01 -0.671660D+00  0.422688D+00 -0.398061D+00
               151           152           153           154           155 
      1   0.587743D+01 -0.974536D+00  0.351955D+01  0.383014D+01  0.135218D+01
      2  -0.974536D+00  0.202556D+00 -0.430730D+00  0.135218D+01  0.228443D+01
      3   0.351955D+01 -0.430730D+00  0.267315D+01  0.152583D+01  0.609640D+00
               156           157           158           159           160 
      1   0.152583D+01  0.788601D+00  0.136231D+01  0.300438D+00  0.248715D+01
      2   0.609640D+00  0.136231D+01  0.174397D+01  0.394287D+00  0.745462D+00
      3   0.142245D+01  0.300438D+00  0.394287D+00  0.506575D+00  0.161345D+01
               161           162           163           164           165 
      1   0.745462D+00  0.161345D+01  0.303152D+00  0.155629D+01 -0.297820D+00
      2   0.102422D+01  0.122568D+01  0.155629D+01  0.178968D+00 -0.122953D+00
      3   0.122568D+01  0.211105D+01 -0.297820D+00 -0.122953D+00  0.164273D+00
               166           167           168           169           170 
      1   0.123745D+01  0.774225D+00 -0.209748D+00 -0.101842D+00 -0.602696D+00
      2   0.774225D+00  0.103031D+02 -0.332531D+01 -0.602696D+00 -0.597680D+01
      3  -0.209748D+00 -0.332531D+01  0.210662D+01  0.513145D+00  0.350636D+01
               171           172           173           174           175 
      1   0.513145D+00 -0.463303D+01  0.112941D+01 -0.167501D+01  0.345289D+00
      2   0.350636D+01  0.112941D+01 -0.192310D+01  0.269178D+00 -0.116835D+01
      3  -0.266986D+01 -0.167501D+01  0.269178D+00 -0.150404D+01 -0.363761D-01
               176           177           178           179           180 
      1  -0.116835D+01 -0.363761D-01 -0.275860D+01  0.288939D+00 -0.187163D+01
      2   0.521874D+00 -0.244681D+00  0.288939D+00 -0.757836D+00  0.773141D+00
      3  -0.244681D+00  0.126038D+00 -0.187163D+01  0.773141D+00 -0.211096D+01
               181           182           183           184           185 
      1  -0.158594D+01  0.202002D+01  0.574524D+00  0.186263D+01 -0.247325D+01
      2   0.202002D+01 -0.181798D+01 -0.846801D+00 -0.247325D+01  0.918120D+01
      3   0.574524D+00 -0.846801D+00 -0.694806D+00 -0.932559D+00  0.304668D+01
               186           187           188           189           190 
      1  -0.932559D+00  0.777216D+00 -0.196984D+01 -0.138725D+01 -0.423939D+01
      2   0.304668D+01 -0.196984D+01  0.529938D+01  0.325856D+01  0.904057D+00
      3   0.199363D+01 -0.138725D+01  0.325856D+01  0.266747D+01  0.106754D+01
               191           192           193           194           195 
      1   0.904057D+00  0.106754D+01  0.199248D+01 -0.102996D+01 -0.870951D+00
      2  -0.100291D+01 -0.563625D+00 -0.102996D+01  0.205596D+01  0.851676D+00
      3  -0.563625D+00 -0.114723D+01 -0.870951D+00  0.851676D+00  0.980285D+00
               196           197           198           199           200 
      1   0.203731D+01 -0.100406D+01 -0.186495D+01 -0.832146D+01 -0.264720D+01
      2  -0.100406D+01  0.148310D+01  0.786016D+00 -0.264720D+01 -0.191599D+01
      3  -0.186495D+01  0.786016D+00  0.210959D+01 -0.271390D+01 -0.118413D+01
               201           202           203           204           205 
      1  -0.271390D+01 -0.299984D+01 -0.248752D+01 -0.126980D+01 -0.503368D+01
      2  -0.118413D+01 -0.248752D+01 -0.234414D+01 -0.908818D+00 -0.224247D+01
      3  -0.190661D+01 -0.126980D+01 -0.908818D+00 -0.910379D+00 -0.329374D+01
               206           207           208           209           210 
      1  -0.224247D+01 -0.329374D+01  0.126253D+01 -0.880397D+00 -0.499134D+00
      2  -0.104742D+01 -0.130859D+01 -0.880397D+00  0.124836D+01  0.714289D+00
      3  -0.130859D+01 -0.267106D+01 -0.499134D+00  0.714289D+00  0.640703D+00
               211           212           213           214           215 
      1  -0.113470D+01  0.199127D+00  0.406682D+00 -0.998207D+00  0.722362D+00
      2   0.199127D+00 -0.498339D+01 -0.141861D+01  0.722362D+00 -0.250621D+01
      3   0.406682D+00 -0.141861D+01 -0.136609D+01  0.261796D+00 -0.200797D+01
               216           217           218           219           220 
      1   0.261796D+00 -0.451643D+01 -0.326262D+01  0.166328D+01 -0.261228D+01
      2  -0.200797D+01 -0.326262D+01 -0.335635D+01  0.156067D+01 -0.316104D+01
      3  -0.210524D+01  0.166328D+01  0.156067D+01 -0.138408D+01  0.147179D+01
               221           222           223           224           225 
      1  -0.316104D+01  0.147179D+01  0.247058D+01  0.294527D+01 -0.213374D+01
      2  -0.584252D+01  0.196047D+01  0.294527D+01  0.361068D+01 -0.283108D+01
      3   0.196047D+01 -0.159743D+01 -0.213374D+01 -0.283108D+01  0.267201D+01
               226           227           228           229           230 
      1   0.238739D+01 -0.325602D+00  0.334445D+00 -0.184679D+01  0.122311D+01
      2  -0.325602D+00  0.321934D+01 -0.212991D+01  0.122311D+01 -0.399746D+01
      3   0.334445D+00 -0.212991D+01  0.162488D+01 -0.989379D+00  0.155202D+01
               231           232           233           234           235 
      1  -0.989379D+00  0.449851D+00 -0.112372D+01  0.709384D+00 -0.135212D+01
      2   0.155202D+01 -0.112372D+01  0.802554D+00 -0.955450D+00 -0.292779D+00
      3  -0.140769D+01  0.709384D+00 -0.955450D+00  0.184005D+01  0.112558D+01
               236           237           238           239           240 
      1  -0.292779D+00  0.112558D+01  0.533600D+00  0.120874D+01 -0.888957D+00
      2  -0.325391D+00 -0.142408D+00  0.120874D+01  0.196004D+01 -0.251963D+00
      3  -0.142408D+00 -0.162969D+01 -0.888957D+00 -0.251963D+00  0.149757D+01
               241           242           243           244           245 
      1   0.137272D+01  0.311803D+00 -0.141334D+01 -0.231521D+01  0.140974D+01
      2   0.311803D+00  0.138310D+01 -0.389675D+00  0.140974D+01 -0.184080D+01
      3  -0.141334D+01 -0.389675D+00  0.593419D+01 -0.670102D+00  0.108091D+01
               246           247           248           249           250 
      1  -0.670102D+00  0.373906D+01 -0.894627D+00  0.222421D+01 -0.205391D+00
      2   0.108091D+01 -0.894627D+00  0.321469D+01 -0.121417D+01  0.105884D+01
      3  -0.927612D+00  0.222421D+01 -0.121417D+01  0.193988D+01 -0.733336D+00
               251           252           253           254           255 
      1   0.105884D+01 -0.733336D+00  0.224279D+01  0.519576D+00  0.421211D+00
      2  -0.105193D+01  0.937334D+00  0.519576D+00 -0.283128D+00  0.464684D+00
      3   0.937334D+00 -0.184193D+01  0.421211D+00  0.464684D+00  0.101060D+01
               256           257           258           259           260 
      1  -0.119058D+01 -0.677423D+00 -0.282874D+00 -0.153846D+01 -0.265298D+00
      2  -0.677423D+00 -0.109990D+01 -0.129344D+01 -0.265298D+00 -0.121156D+01
      3  -0.282874D+00 -0.129344D+01 -0.197288D+01 -0.753310D+00 -0.126465D+01
               261           262           263           264           265 
      1  -0.753310D+00 -0.556181D+01  0.370113D+00  0.259565D+01 -0.596563D+00
      2  -0.126465D+01  0.370113D+00 -0.230435D+01 -0.317121D+00  0.942629D-02
      3  -0.594102D+01  0.259565D+01 -0.317121D+00 -0.202846D+01  0.823609D+00
               266           267           268           269           270 
      1   0.942629D-02  0.823609D+00  0.168752D+01  0.411744D+00 -0.118044D+01
      2  -0.134402D+01 -0.712994D+00  0.411744D+00 -0.435370D+00 -0.138378D+00
      3  -0.712994D+00 -0.703839D+00 -0.118044D+01 -0.138378D+00  0.183848D+01
               271           272           273           274           275 
      1   0.646613D+00 -0.911738D+00  0.536549D+00  0.530779D-02  0.868510D+00
      2  -0.911738D+00  0.235527D+01  0.122750D+01  0.868510D+00  0.203382D+00
      3   0.536549D+00  0.122750D+01  0.211075D+01  0.479955D+00  0.336684D+00
               276           277           278           279           280 
      1   0.479955D+00  0.111032D+01 -0.163524D+00  0.365977D+00  0.516854D+01
      2   0.336684D+00 -0.163524D+00  0.164920D+01  0.142522D+01  0.103927D+01
      3   0.666540D+00  0.365977D+00  0.142522D+01  0.594252D+01 -0.250622D+01
               281           282           283           284           285 
      1   0.103927D+01 -0.250622D+01  0.698162D+00  0.454282D+00 -0.220293D-01
      2   0.294065D+01 -0.116186D+01  0.454282D+00 -0.566138D+00  0.621724D+00
      3  -0.116186D+01  0.214132D+01 -0.220293D-01  0.621724D+00 -0.163315D+00
               286           287           288           289           290 
      1  -0.175692D+01 -0.164075D+00  0.117779D+01 -0.403547D+00 -0.156684D+00
      2  -0.164075D+00  0.500969D+00  0.166672D+00 -0.156684D+00 -0.253626D+01
      3   0.117779D+01  0.166672D+00 -0.183855D+01 -0.941810D+00  0.106795D+01
               291           292           293           294           295 
      1  -0.941810D+00  0.358912D+00 -0.872844D+00  0.322178D+00 -0.106071D+01
      2   0.106795D+01 -0.872844D+00 -0.907614D+00  0.724554D-01 -0.916744D-02
      3  -0.220547D+01  0.322178D+00  0.724554D-01  0.111574D+00 -0.714875D+00
               296           297           298           299           300 
      1  -0.916744D-02 -0.714875D+00  0.709117D+00  0.107216D+01 -0.104346D+00
      2  -0.168607D+01  0.128313D+01  0.107216D+01  0.153559D+01  0.735246D+00
      3   0.128313D+01 -0.593915D+01 -0.104346D+00  0.735246D+00  0.404643D+00
               301           302           303           304           305 
      1   0.355851D+01  0.122049D+01  0.187483D+01 -0.257135D+00  0.713434D+00
      2   0.122049D+01  0.422404D+01  0.199229D+01  0.713434D+00  0.151671D+01
      3   0.187483D+01  0.199229D+01  0.211502D+01  0.472547D+00  0.109454D+01
               306           307           308           309           310 
      1   0.472547D+00 -0.186890D+01 -0.308982D+00 -0.354356D+00 -0.205462D+01
      2   0.109454D+01 -0.308982D+00  0.559337D+00  0.350050D-01  0.506097D+00
      3   0.184506D+01 -0.354356D+00  0.350050D-01 -0.476157D+00 -0.714556D+00
               311           312           313           314           315 
      1   0.506097D+00 -0.714556D+00  0.165417D+01 -0.152278D+00  0.104775D+01
      2  -0.657433D+00  0.123131D+01 -0.152278D+00  0.110772D+01 -0.103353D+01
      3   0.123131D+01 -0.216617D+01  0.104775D+01 -0.103353D+01  0.593712D+01
               316           317           318           319           320 
      1  -0.186288D+01  0.549312D-01  0.354770D+00 -0.192081D+01 -0.540912D+00
      2   0.549312D-01 -0.208900D+01 -0.163039D+01 -0.540912D+00 -0.515479D+01
      3   0.354770D+00 -0.163039D+01 -0.121748D+01 -0.488395D+00 -0.224150D+01
               321           322           323           324           325 
      1  -0.488395D+00  0.789780D-01 -0.894303D+00 -0.445321D+00  0.107476D+01
      2  -0.224150D+01 -0.894303D+00 -0.133728D+01 -0.110718D+01  0.353819D+00
      3  -0.177731D+01 -0.445321D+00 -0.110718D+01 -0.184506D+01 -0.784130D+00
               326           327           328           329           330 
      1   0.353819D+00 -0.784130D+00  0.154606D+01 -0.135849D+01 -0.116352D+01
      2  -0.819031D-01 -0.415419D+00 -0.135849D+01  0.129540D+01 -0.891477D-01
      3  -0.415419D+00  0.120010D+01 -0.116352D+01 -0.891477D-01  0.186404D+01
               331           332           333 
      1  -0.152720D+01  0.274030D+00  0.147139D+01
      2   0.274030D+00 -0.122823D+01 -0.179798D-01
      3   0.147139D+01 -0.179798D-01 -0.593699D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.452127D+01 -0.518912D+01 -0.479553D+01 -0.694687D+01  0.352852D+01
      2   0.535097D+01  0.402820D+01  0.707739D+01  0.471308D+01 -0.489855D+01
      3   0.339261D+01 -0.796771D+01  0.224426D+01 -0.159936D+01  0.316025D+01
                 6             7             8             9            10 
      1   0.202778D+01 -0.538711D+01  0.356707D+01  0.109754D+01 -0.190670D+01
      2  -0.188737D+01  0.310452D+01 -0.537015D+00 -0.879371D+00  0.392634D+00
      3   0.948285D+01 -0.391985D+00  0.136211D+02  0.600484D+01 -0.720050D+00
                11            12            13            14            15 
      1   0.433099D+01 -0.240122D+00  0.413932D+01  0.207466D+01 -0.567537D+01
      2  -0.963946D+01 -0.639879D+00 -0.777647D+01 -0.146810D+01  0.692461D+01
      3   0.896813D+00  0.972907D+01  0.719432D+01 -0.585917D+01 -0.360352D+00
                16            17            18            19            20 
      1  -0.855226D+00 -0.142033D+01 -0.590220D+00  0.540152D+01 -0.960893D+01
      2  -0.177100D+01  0.681862D+01  0.133754D+01  0.169778D+02  0.494946D+01
      3   0.130407D+02 -0.400399D+01 -0.602959D+01 -0.132981D+02  0.736567D+01
                21            22            23            24            25 
      1   0.676789D+01 -0.161500D+02 -0.285877D+00 -0.945787D+01  0.463402D+01
      2  -0.269617D+00 -0.269305D+01  0.741380D+00 -0.892120D+01 -0.254485D+02
      3  -0.942898D+01  0.274985D+02  0.436458D+01  0.105431D+02 -0.308288D+01
                26            27            28            29            30 
      1   0.460497D-01  0.351931D+00  0.115802D+00 -0.474696D+00 -0.570945D-01
      2  -0.101516D+02 -0.186377D+02 -0.211703D+00 -0.372438D+00  0.900646D+00
      3   0.649624D+01  0.260811D+01 -0.110323D+00  0.711923D+00  0.151433D+00
                31            32            33            34            35 
      1  -0.332504D+00 -0.266821D+00 -0.823801D+00  0.105269D+00 -0.467919D+01
      2  -0.157894D+00  0.310351D+00 -0.152410D+00  0.500325D+01 -0.290194D+00
      3  -0.869612D+00  0.179179D+00  0.200209D-01  0.958881D-01 -0.319969D-01
                36            37            38            39            40 
      1  -0.287398D+00  0.670841D+00 -0.215785D+01  0.103350D+02  0.691033D+01
      2   0.107117D+00 -0.693922D+01 -0.127378D+02  0.474153D+01 -0.844271D+01
      3   0.103951D+00 -0.120766D+02 -0.205794D+02  0.765302D+01 -0.389568D+00
                41            42            43            44            45 
      1   0.177624D+02 -0.444238D+01  0.156337D+02  0.198560D+02 -0.178301D+02
      2   0.713463D+01 -0.808964D+01 -0.562631D+01 -0.100855D+02  0.513495D+01
      3   0.209481D+02 -0.118678D+02  0.535167D+01 -0.464188D+01 -0.262274D+01
                46            47            48            49            50 
      1  -0.291178D+01 -0.880438D+01 -0.333863D+01 -0.171673D+02 -0.637947D+01
      2   0.161773D+02 -0.314697D+01 -0.351646D+01  0.246172D+01 -0.413555D+00
      3   0.356557D+01  0.948988D+01  0.641831D+01  0.296770D+02  0.519676D+01
                51            52            53            54            55 
      1  -0.127048D+02  0.249996D+01 -0.198092D+01  0.448408D+01  0.617261D+00
      2   0.562589D+01 -0.275560D+02  0.313978D+01 -0.181432D+02 -0.394740D+01
      3   0.126344D+02  0.139850D+01  0.709816D+01 -0.267157D+01 -0.937572D+00
                56            57            58            59            60 
      1   0.232070D+01  0.133365D+01  0.260912D+01 -0.480782D+00 -0.351703D+01
      2   0.987146D+01  0.154147D+01  0.798694D+01  0.292188D+01 -0.801356D+01
      3  -0.880564D+00 -0.932821D+01  0.547750D+01  0.749929D+01 -0.282660D+01
                61            62            63            64            65 
      1   0.115308D+01  0.677159D+00  0.221802D+00  0.501318D+01 -0.210763D+01
      2   0.255358D+00 -0.705525D+01  0.141147D+01  0.834291D+01 -0.155578D+01
      3  -0.115852D+02 -0.719297D+01  0.598881D+01 -0.102716D+01 -0.741308D+01
                66            67            68            69            70 
      1   0.238872D+01 -0.361627D+01 -0.418575D+01  0.215096D+01  0.349546D+01
      2   0.719182D+01 -0.263649D+01 -0.772100D+01  0.428046D+01  0.393357D+01
      3  -0.455382D+01 -0.108167D+01 -0.553719D+01  0.861148D+01 -0.307795D+01
                71            72            73            74            75 
      1   0.427934D+01 -0.855083D+00  0.486289D-01 -0.306745D+00 -0.927132D+01
      2   0.243086D+01 -0.117643D+01 -0.116239D+02  0.817921D+01  0.205324D+00
      3   0.133125D+02 -0.599771D+01  0.151780D+02 -0.110856D+02 -0.446502D+01
                76            77            78            79            80 
      1   0.949298D+01 -0.178577D+02 -0.896005D+01 -0.175721D+02  0.126492D+02
      2   0.624730D+01  0.717781D+01  0.703549D+01 -0.129275D+02  0.119773D+02
      3   0.909051D+01 -0.239555D+02 -0.134473D+02 -0.405531D+01 -0.598124D+01
                81            82            83            84            85 
      1   0.160249D+02 -0.278120D+01  0.280104D+01 -0.811053D+00 -0.517736D+00
      2   0.964087D+01 -0.125709D+02 -0.156650D+02  0.137670D+02 -0.622958D+01
      3   0.263996D+01 -0.151687D+02 -0.264432D+02  0.138011D+02 -0.633992D+01
                86            87            88            89            90 
      1   0.155810D+02  0.464768D+01  0.452480D+01  0.255087D+02 -0.162701D+02
      2  -0.756204D+00 -0.136631D+01 -0.224672D-02 -0.100497D+02  0.902455D+01
      3   0.619921D+01  0.288933D+01  0.710996D+01 -0.557160D+00  0.261453D+01
                91            92            93            94            95 
      1   0.694599D+01  0.553672D+01  0.788089D+01  0.725376D+01 -0.794404D+01
      2  -0.101880D+01  0.113217D+01  0.100347D+01  0.375351D+00  0.142053D+01
      3  -0.806696D+01 -0.297921D+01 -0.516534D+01  0.335085D+01  0.149591D+01
                96            97            98            99           100 
      1  -0.400861D+01  0.627697D+01 -0.227367D+01  0.145382D+01 -0.868996D+01
      2  -0.119051D+01 -0.269980D+01 -0.330449D+00 -0.157603D+00 -0.280477D+01
      3  -0.825675D+01 -0.997338D+01 -0.930258D+01 -0.601814D+01  0.733439D+01
               101           102           103           104           105 
      1   0.143886D+01 -0.654089D+01  0.290715D+01  0.954176D+01 -0.608812D+01
      2  -0.131673D+01 -0.101958D+01 -0.139732D+00  0.342457D+01 -0.148274D+00
      3  -0.658699D+00  0.708757D+01  0.569948D+01 -0.787527D+00 -0.667062D+01
               106           107           108           109           110 
      1  -0.463557D+01 -0.359567D+01 -0.136517D+01  0.539124D+01  0.407391D+01
      2  -0.400204D+01 -0.132318D+01 -0.532477D+00 -0.163402D+02  0.128707D+02
      3   0.120172D+02 -0.642971D+01  0.603311D+01  0.218270D+02 -0.191064D+02
               111           112           113           114           115 
      1  -0.364218D+01  0.324079D+01 -0.143434D+02  0.330479D+01 -0.982601D+01
      2   0.125210D+02  0.280578D+01  0.250485D+00  0.589205D+01 -0.518322D+01
      3  -0.141390D+02  0.103435D+01 -0.129169D+02 -0.721590D+00 -0.682308D+01
               116           117           118           119           120 
      1   0.202785D+02  0.134873D+02  0.926694D+00  0.127616D+01 -0.151638D+01
      2   0.154021D+02  0.129264D+02  0.990887D+00  0.134180D+01 -0.647709D+00
      3  -0.238805D+01 -0.263806D+01  0.621790D+01  0.330720D+01 -0.230855D+01
               121           122           123           124           125 
      1   0.479902D+00  0.486117D+01 -0.516029D+01  0.133172D+00 -0.388223D+01
      2   0.681342D+00  0.541061D+01 -0.387558D+01 -0.178596D+01 -0.521388D+01
      3   0.383074D+01  0.132418D+02 -0.538993D+01 -0.381415D+01 -0.904801D+01
               126           127           128           129           130 
      1   0.623074D+01 -0.241597D+01  0.129727D+01  0.335455D+01  0.782201D+00
      2   0.686104D+01 -0.170801D+01  0.216230D+01  0.499346D+01  0.110947D+01
      3   0.513245D+01 -0.550572D+01 -0.208811D+01  0.649759D+00 -0.838928D+00
               131           132           133           134           135 
      1  -0.250878D+00 -0.267636D+01  0.183982D+01 -0.388171D+00 -0.405916D+01
      2  -0.117520D+01 -0.340839D+01  0.863409D-01 -0.166916D+01 -0.579295D+01
      3   0.436823D+01  0.916228D+00  0.410352D+01 -0.883513D+00  0.153075D+00
               136           137           138           139           140 
      1  -0.140385D+00 -0.232051D+00 -0.195907D+00 -0.141412D+00 -0.325661D+00
      2  -0.299144D+01 -0.244421D+01  0.346996D+01 -0.346972D+01 -0.561521D+01
      3  -0.620359D+01 -0.380710D+01  0.219752D+01 -0.327193D+01 -0.132661D+02
               141           142           143           144           145 
      1  -0.104952D+01 -0.278926D+00  0.164757D+01 -0.491635D+00  0.517191D+00
      2   0.558094D+01  0.376927D+01  0.534628D+01 -0.923099D+01  0.383494D+01
      3   0.543431D+01  0.373151D+01  0.907486D+01 -0.512786D+01 -0.930227D+00
               146           147           148           149           150 
      1   0.762181D+00  0.121299D+01  0.378395D+00 -0.350209D+00 -0.461474D+00
      2  -0.415591D+00  0.720508D+01 -0.151772D+01  0.771874D-01 -0.115580D+01
      3  -0.555155D+01 -0.193411D+00 -0.430252D+01  0.207493D+01 -0.110604D+01
               151           152           153           154           155 
      1  -0.219320D+00  0.152155D+01  0.125784D+01 -0.680568D+01 -0.233550D+01
      2   0.199663D+01  0.555514D-01  0.696427D+01  0.142400D+01  0.566708D+00
      3   0.350402D+01 -0.229040D+01 -0.160465D+00  0.145376D+02  0.981565D+00
               156           157           158           159           160 
      1  -0.580010D+01 -0.136180D+01 -0.163197D+01 -0.185222D+01 -0.633516D+01
      2   0.268238D+01  0.205107D+00  0.383040D+00  0.414481D+00  0.153380D+00
      3   0.582613D+01  0.153965D+01  0.487612D+01  0.690287D+00  0.974228D+01
               161           162           163           164           165 
      1  -0.196072D+01 -0.906552D+01 -0.144367D+00 -0.286763D+00 -0.726172D+00
      2   0.125771D+01  0.196500D+01  0.415333D-01  0.610740D+00  0.327838D+00
      3   0.120795D+01  0.513273D+01  0.641157D+00  0.437865D+01 -0.112110D+01
               166           167           168           169           170 
      1   0.889200D+00  0.398371D+01 -0.734435D+01 -0.933982D+00 -0.169383D+01
      2   0.695941D+00 -0.911122D+00  0.664563D+00 -0.120525D+01  0.109627D+01
      3   0.562982D+01 -0.177797D+01  0.102647D+00 -0.128745D+01  0.399464D+01
               171           172           173           174           175 
      1   0.704007D+01  0.674405D+01 -0.714926D+00  0.518961D+01  0.129542D+00
      2  -0.622960D+00  0.337677D+01 -0.453142D+00  0.415339D+01  0.127223D+00
      3   0.161223D+00 -0.145313D+02 -0.157498D+01 -0.581637D+01 -0.104452D+01
               176           177           178           179           180 
      1   0.987620D+00 -0.348691D+00  0.630533D+01  0.408537D-01  0.827335D+01
      2   0.531288D+00  0.210076D+00  0.213659D+01 -0.121704D+01  0.420504D+01
      3  -0.493028D+01 -0.829002D+00 -0.974689D+01 -0.133611D+01 -0.514447D+01
               181           182           183           184           185 
      1  -0.332057D+00  0.736996D+00  0.236045D+01  0.189752D+01 -0.314694D+01
      2   0.223998D+00 -0.109024D+00  0.112440D+01  0.108757D+00 -0.203510D+01
      3  -0.294613D+01  0.313439D+01  0.105329D+01  0.439241D+01  0.407736D+01
               186           187           188           189           190 
      1  -0.654347D+01  0.151184D+01 -0.998056D+00 -0.664367D+01  0.141016D+01
      2  -0.229833D+01 -0.521677D+00 -0.167276D+01 -0.238754D+01 -0.441391D+01
      3   0.383558D+00  0.224083D+00  0.418440D+01 -0.163027D+00  0.837404D+01
               191           192           193           194           195 
      1  -0.934938D+00 -0.769650D+00 -0.110636D+01  0.123735D+01  0.213442D+00
      2   0.256483D+01  0.472594D+01  0.355595D+01 -0.382428D+01 -0.463048D+01
      3  -0.508281D+01 -0.351403D+01 -0.452434D+01  0.110817D+02  0.471147D+01
               196           197           198           199           200 
      1  -0.141042D+01  0.269863D+01  0.282587D+01 -0.151459D+01  0.150800D+00
      2   0.477005D+01 -0.367934D+01 -0.884888D+01  0.283709D+01  0.130113D+01
      3  -0.590578D+01  0.787163D+01  0.514207D+01  0.316370D+01 -0.418046D+01
               201           202           203           204           205 
      1  -0.271719D+01 -0.510361D+00  0.349325D+00 -0.148096D+01 -0.658743D+00
      2   0.619188D+01  0.228038D+01  0.921434D+00  0.266179D+01  0.182920D+01
      3   0.469536D+00 -0.291784D+01 -0.428994D+01 -0.101668D+01 -0.281680D+01
               206           207           208           209           210 
      1   0.136032D+01 -0.297686D+01 -0.201905D+01  0.264115D+01  0.307708D+01
      2   0.826173D+00  0.640531D+01  0.130333D+01 -0.167276D+01 -0.843403D+00
      3  -0.310467D+01  0.155055D+00 -0.840594D+01  0.454196D+01  0.360867D+01
               211           212           213           214           215 
      1   0.169066D+01 -0.521591D+01 -0.536144D+01  0.157788D+01 -0.486543D+01
      2  -0.122436D+01  0.341995D+01  0.230433D+01 -0.272069D+01  0.348739D+01
      3   0.506784D+01 -0.110426D+02 -0.461647D+01  0.598674D+01 -0.777518D+01
               216           217           218           219           220 
      1  -0.774505D+01  0.193046D+01  0.217005D+01 -0.348938D+01  0.140315D+01
      2   0.504836D+01 -0.393696D+00 -0.158311D+01  0.318121D+01 -0.694523D+00
      3  -0.512837D+01  0.559457D+01  0.531789D+00 -0.864433D+00  0.177746D+01
               221           222           223           224           225 
      1   0.138594D+01 -0.449181D+01 -0.154599D+01 -0.124661D+01  0.540243D+01
      2  -0.171916D+01  0.354386D+01 -0.753590D+00  0.138345D+01 -0.457549D+01
      3  -0.444764D+01  0.724476D+00 -0.374656D+01 -0.189074D+01 -0.161467D+00
               226           227           228           229           230 
      1   0.701540D+00  0.454639D+01  0.323192D-01  0.893544D+00 -0.184633D+01
      2  -0.661705D+01  0.477019D+01 -0.258837D+01  0.411136D+01 -0.394048D+01
      3  -0.819227D+01  0.652717D+01 -0.421708D+01  0.605959D+01 -0.576490D+01
               231           232           233           234           235 
      1  -0.112857D+01  0.991962D+00 -0.755601D+00  0.153395D+01  0.218776D+01
      2   0.294570D+01 -0.254932D+01  0.185128D+01 -0.263063D+01  0.795927D+00
      3   0.315263D+01 -0.122235D+01  0.200573D+01 -0.303211D+01  0.184663D+01
               236           237           238           239           240 
      1  -0.126323D+01 -0.375714D+01 -0.206863D+01 -0.855290D+00  0.529931D+01
      2   0.498400D+00  0.422045D+00 -0.166121D+01 -0.171493D+01 -0.507253D-01
      3  -0.100371D+01 -0.229096D+01 -0.208691D+01 -0.267833D+01  0.258553D+01
               241           242           243           244           245 
      1  -0.305780D+01  0.115526D+01  0.122951D+02 -0.188268D+01  0.301945D+01
      2  -0.178957D+01 -0.245906D-01 -0.277422D+01  0.221902D+00  0.382013D+00
      3  -0.254076D+01 -0.144156D+00  0.268145D+01  0.272593D+01 -0.455474D+01
               246           247           248           249           250 
      1  -0.177992D+01  0.462600D+01 -0.863373D+01  0.309307D+01 -0.942024D+00
      2   0.161657D+01  0.375660D+01  0.147483D+01 -0.116710D+01  0.729913D+00
      3   0.193120D+01 -0.503709D+01  0.112471D+02 -0.490495D+01  0.159957D+01
               251           252           253           254           255 
      1   0.255335D+01 -0.212980D+01 -0.215636D+01 -0.120114D+01 -0.117165D+01
      2  -0.191349D+01  0.217197D+01 -0.925317D+00 -0.782888D+00 -0.394814D+01
      3  -0.171564D+01  0.303650D+01  0.314786D+01  0.715342D+00  0.188626D+01
               256           257           258           259           260 
      1   0.112685D+01  0.165917D+01  0.923420D+00  0.407588D+00  0.251866D+01
      2  -0.567859D+00  0.245501D+01  0.494237D+01 -0.384058D+00  0.266452D+01
      3  -0.392693D+00 -0.230409D+01 -0.289310D+01 -0.853511D+00 -0.239312D+01
               261           262           263           264           265 
      1   0.580910D+00 -0.555277D+01 -0.342445D+01  0.382460D+01 -0.216938D+01
      2   0.125812D+02  0.733792D+01  0.168324D+00 -0.106999D+01  0.367288D+01
      3  -0.268101D+01 -0.118473D+02 -0.395951D+01  0.483751D+01 -0.444474D+01
               266           267           268           269           270 
      1  -0.307393D+01  0.396087D+00  0.307299D+01  0.135999D+01 -0.303504D+01
      2  -0.102530D+01 -0.851442D+00 -0.437506D+00 -0.194151D+00  0.865532D-03
      3  -0.219734D+01  0.205625D+01  0.234337D+01  0.348142D-01 -0.304890D+01
               271           272           273           274           275 
      1  -0.119670D+01  0.878826D+00 -0.344309D+01 -0.582384D+00 -0.309364D+00
      2  -0.911540D+00 -0.342961D+01 -0.548627D+01 -0.160096D+01  0.146633D+00
      3  -0.195213D+00  0.327191D+01  0.339144D+01  0.215999D+01 -0.604007D+00
               276           277           278           279           280 
      1  -0.612815D+00 -0.509288D+00  0.314794D+00 -0.855160D+01  0.457202D+01
      2  -0.343635D+00 -0.262876D+01 -0.257785D+01 -0.928004D+01  0.920227D+01
      3   0.687657D+00  0.115225D+01  0.226602D+01  0.268831D+01  0.132896D+02
               281           282           283           284           285 
      1  -0.293990D+01 -0.335107D+01 -0.802918D+00  0.215098D+01 -0.721535D+00
      2   0.142417D+01 -0.214794D+01 -0.161966D+01 -0.915487D+00  0.392513D+00
      3  -0.109941D+01 -0.519050D+01 -0.152218D+01  0.733363D+00  0.757573D+00
               286           287           288           289           290 
      1  -0.308083D+01  0.500246D+00  0.294622D+01  0.150764D+01  0.273781D+00
      2  -0.131339D+01  0.243800D+00  0.740213D+00 -0.165752D+01  0.305148D+01
      3  -0.228097D+01 -0.529403D+00  0.302760D+01 -0.105864D+01  0.284211D+01
               291           292           293           294           295 
      1   0.472123D+01 -0.678255D+00 -0.172668D-01  0.550395D+00  0.116487D+01
      2  -0.430551D+01  0.987511D+00  0.142183D+01 -0.935021D+00 -0.294839D+01
      3  -0.342910D+01  0.174699D+01  0.193118D+01 -0.170962D+00 -0.163143D+01
               296           297           298           299           300 
      1  -0.588236D-01  0.106042D+02  0.118673D+00  0.943588D+00  0.608314D+00
      2   0.190342D+01 -0.679115D+01  0.140954D+01 -0.201220D+00  0.146600D+01
      3   0.195316D+01 -0.267475D+01 -0.979673D+00 -0.183392D+01 -0.631068D+00
               301           302           303           304           305 
      1   0.332516D+01  0.966337D+01  0.291351D+01  0.206510D+00  0.209213D+01
      2  -0.304661D+01  0.292669D+01  0.238424D+01  0.263671D+00  0.266926D+01
      3  -0.226850D+01 -0.130653D+02 -0.521942D+01 -0.111778D+01 -0.207014D+01
               306           307           308           309           310 
      1   0.152369D+01  0.210701D+01 -0.208894D+00  0.152365D+01  0.206050D+01
      2   0.263882D+01 -0.532944D+00 -0.160825D+00 -0.226573D+01  0.184954D+00
      3  -0.304962D+01 -0.285441D+01 -0.622888D+00 -0.110323D+01 -0.171414D+01
               311           312           313           314           315 
      1  -0.204065D+01  0.262330D+01 -0.105467D+01  0.295884D+01 -0.374455D+01
      2   0.217166D+01 -0.532633D+01 -0.254802D-01 -0.203646D+01  0.120245D+02
      3   0.208376D+01 -0.329100D+01  0.137644D+01 -0.213678D+01  0.269485D+01
               316           317           318           319           320 
      1  -0.738652D+00  0.470045D+01  0.702763D+00  0.997470D+00  0.453627D+01
      2  -0.466722D+01 -0.376474D+01 -0.163043D+01 -0.407080D+01 -0.533928D+01
      3   0.502305D+01  0.630014D+01  0.326199D+01  0.582527D+01  0.902684D+01
               321           322           323           324           325 
      1  -0.180825D+00 -0.253450D+00 -0.328455D+00 -0.820883D+00 -0.121747D+01
      2  -0.366977D+01 -0.215548D+01 -0.259908D+01 -0.293361D+01  0.373806D-01
      3   0.412439D+01  0.683813D+00  0.223611D+01  0.303895D+01 -0.801071D+00
               326           327           328           329           330 
      1  -0.170818D+01  0.210078D+01 -0.308494D+01  0.134704D+00  0.584751D+01
      2  -0.417947D+00  0.970199D+00  0.148173D+01 -0.124883D+01  0.167849D+01
      3  -0.190135D+01  0.155913D+01 -0.299660D+01  0.163993D+01  0.308300D+01
               331           332           333 
      1   0.301879D+01  0.192126D+01 -0.111708D+02
      2  -0.100517D+01  0.661837D-01 -0.579687D+01
      3   0.249261D+01  0.490062D+00 -0.268774D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.341135D+01 -0.404447D+01  0.846660D-01 -0.520150D+00  0.502619D+01
      2  -0.469326D+01 -0.937727D+00  0.134319D+02 -0.353669D-01 -0.120093D+02
      3   0.128190D+01  0.498220D+01 -0.135166D+02  0.555517D+00  0.698312D+01
      4  -0.943635D+01 -0.172986D+02  0.190570D+02 -0.879485D+01 -0.156842D+02
      5   0.742115D+01  0.146602D+02 -0.363173D+01  0.145425D+02  0.639108D+01
      6   0.105740D+02  0.184121D+02 -0.918311D+00  0.175326D+02  0.142798D+01
                 6             7             8             9            10 
      1   0.155646D+02 -0.390890D+01  0.159883D+02  0.740182D+01 -0.218385D+02
      2  -0.914367D+01  0.155823D+02 -0.100139D+02 -0.119478D+02  0.138236D+02
      3  -0.642092D+01 -0.116734D+02 -0.597438D+01  0.454598D+01  0.801495D+01
      4   0.155970D+02  0.216255D+02  0.209329D+02 -0.902678D+01 -0.149263D+02
      5  -0.857506D+01 -0.335612D+01 -0.109823D+02  0.212735D+01 -0.145483D+02
      6  -0.100478D+02 -0.275236D+01 -0.152710D+02  0.143065D+01 -0.104591D+02
                11            12            13            14            15 
      1  -0.104894D+01 -0.641868D+01 -0.642248D+01 -0.591085D+01 -0.212636D+02
      2   0.232955D+01 -0.335867D+01  0.330449D+01  0.564622D+01  0.993704D+01
      3  -0.128061D+01  0.977735D+01  0.311799D+01  0.264633D+00  0.113266D+02
      4  -0.529643D+01 -0.224681D+02 -0.132157D+02 -0.280673D+00 -0.726267D+01
      5  -0.201163D+02 -0.120154D+02 -0.209457D+02 -0.668534D+00  0.139630D+01
      6  -0.772490D+01 -0.627977D+01 -0.757284D+01  0.314533D+00 -0.165920D+01
                16            17            18            19            20 
      1  -0.906905D+01 -0.236744D+02 -0.151845D+02  0.817814D+01  0.328638D+01
      2   0.225579D+00  0.140106D+02  0.106627D+02 -0.512364D+01 -0.705059D+01
      3   0.884347D+01  0.966381D+01  0.452185D+01 -0.305450D+01  0.376421D+01
      4  -0.273479D+02 -0.658187D+01 -0.281818D+01  0.192331D+02  0.103603D+00
      5  -0.179373D+02  0.126567D+01 -0.193167D+01  0.973675D+01  0.119576D+02
      6  -0.698484D+01 -0.685897D+00 -0.167456D+01  0.404070D+01 -0.709187D+00
                21            22            23            24            25 
      1   0.311659D+01  0.575671D+01 -0.235990D+01  0.123439D+02 -0.148046D+01
      2  -0.164606D+01 -0.606467D+01  0.282120D+01 -0.210268D+01 -0.114149D+00
      3  -0.147053D+01  0.307967D+00 -0.461299D+00 -0.102412D+02  0.159461D+01
      4   0.141824D+02  0.516942D+01  0.841847D+01  0.104994D+01  0.686670D+01
      5   0.573991D+01  0.113157D+02 -0.430716D+01  0.160229D+01  0.295102D+01
      6   0.426481D+01 -0.165021D+01  0.134435D+01 -0.308891D+01  0.274446D+01
                26            27            28            29            30 
      1   0.104121D+02  0.749900D+01 -0.125744D+02 -0.248609D-01  0.450616D+01
      2  -0.288484D+01  0.133910D+01  0.212313D+01  0.787098D-02 -0.450572D+01
      3  -0.752722D+01 -0.883809D+01  0.104513D+02  0.169899D-01 -0.442737D-03
      4  -0.528542D+00  0.287926D+00 -0.346291D-01 -0.733063D+01  0.178757D+01
      5  -0.458780D+00 -0.424277D+01  0.220610D+01  0.872466D+00 -0.140318D+01
      6  -0.232251D+01 -0.591932D+01  0.869331D+00 -0.223798D+01  0.311294D-01
                31            32            33            34            35 
      1  -0.275163D-01  0.213626D+01  0.179500D+01  0.730682D+01  0.296391D+01
      2   0.546729D-01 -0.125671D+02 -0.178477D+01 -0.731027D+01 -0.298195D+01
      3  -0.271566D-01  0.104309D+02 -0.102286D-01  0.345945D-02  0.180425D-01
      4  -0.738077D+01 -0.121042D-01 -0.452140D+01  0.301903D+01 -0.728990D+01
      5   0.820617D+00 -0.222167D+01 -0.465485D-01  0.537734D+01 -0.347049D-01
      6  -0.221652D+01 -0.880891D+00 -0.140820D+01 -0.536853D-01  0.529620D+01
                36            37            38            39            40 
      1  -0.241718D+00  0.440771D+01 -0.227459D+01 -0.102282D+01 -0.595586D+01
      2  -0.326724D+00 -0.479490D+01  0.293034D+01 -0.921877D+01  0.313013D+01
      3   0.568442D+00  0.387195D+00 -0.655749D+00  0.102416D+02  0.282573D+01
      4  -0.374832D-01  0.945676D+01  0.102498D+02 -0.791771D+01  0.559848D+01
      5   0.263670D-01 -0.158859D+01 -0.269375D+01 -0.100140D+01 -0.381342D+01
      6   0.434881D-01 -0.222274D+01 -0.129487D+02  0.340974D+01 -0.133569D+02
                41            42            43            44            45 
      1   0.797957D+01 -0.584841D+01  0.130184D+01 -0.377886D+01  0.192090D+01
      2  -0.408262D+01  0.718523D+01 -0.812747D+01  0.731393D+01  0.694773D+01
      3  -0.389695D+01 -0.133682D+01  0.682564D+01 -0.353508D+01 -0.886863D+01
      4   0.163388D+02 -0.116995D+02 -0.435489D+01 -0.462641D+01  0.185145D+01
      5  -0.500775D+01  0.609966D+01 -0.139192D+01  0.392568D+01  0.681549D+01
      6  -0.149524D+01  0.360721D+01  0.766437D+00  0.202586D+01  0.251275D+01
                46            47            48            49            50 
      1   0.182314D+02  0.157845D+01  0.124277D+02 -0.322650D+01  0.544644D+00
      2  -0.163711D+02  0.257585D+01 -0.844589D+01  0.389495D+01  0.111564D+01
      3  -0.186028D+01 -0.415430D+01 -0.398186D+01 -0.668457D+00 -0.166029D+01
      4  -0.129522D+02 -0.358236D+01 -0.101533D+02  0.409034D+00 -0.912762D+01
      5   0.148463D+02 -0.647504D+01  0.657555D+01 -0.554682D+01 -0.830444D+01
      6   0.498661D+00 -0.292177D+01 -0.174014D+01 -0.370169D+01 -0.435213D+01
                51            52            53            54            55 
      1  -0.902919D+01  0.429012D+01 -0.849656D+01  0.725934D+01 -0.293260D+02
      2  -0.507212D+00 -0.391682D+01  0.810363D+00  0.158842D+01  0.213662D+02
      3   0.953640D+01 -0.373304D+00  0.768619D+01 -0.884775D+01  0.795979D+01
      4  -0.541446D+01 -0.516985D+01 -0.522869D+01  0.126526D+01  0.696818D+01
      5   0.963748D+00  0.317040D+01  0.189806D+01 -0.559799D+01 -0.263744D+02
      6  -0.399695D+01 -0.127983D+01 -0.255430D+01  0.465064D+01  0.706604D+01
                56            57            58            59            60 
      1  -0.289622D+01 -0.224796D+02  0.599714D+01 -0.288405D+01  0.177168D+02
      2  -0.410094D+00  0.101660D+02 -0.488744D+01  0.254525D+01 -0.923536D+01
      3   0.330631D+01  0.123136D+02 -0.110970D+01  0.338793D+00 -0.848149D+01
      4  -0.130119D+01  0.178681D+02 -0.666622D+01 -0.531322D+01  0.607811D+01
      5   0.146457D+02 -0.125433D+02  0.154263D+02  0.910318D+01 -0.422870D+01
      6  -0.371517D+00  0.342469D+01 -0.276842D-01 -0.110996D+01 -0.112182D+01
                61            62            63            64            65 
      1  -0.273944D+02  0.181445D+02 -0.149121D+02 -0.610474D+01  0.117474D+02
      2   0.163980D+02 -0.110435D+02  0.103730D+02  0.309840D+01 -0.573680D+01
      3   0.109964D+02 -0.710104D+01  0.453909D+01  0.300634D+01 -0.601062D+01
      4   0.199343D+02  0.889701D+01 -0.386164D+01  0.160672D+02 -0.147544D+02
      5  -0.182459D+02 -0.583350D+01 -0.232675D+01  0.187876D+02 -0.156379D+02
      6   0.239672D+01 -0.402830D+00  0.112914D+01 -0.144999D+02  0.102074D+02
                66            67            68            69            70 
      1   0.154318D+02  0.425392D+01  0.570748D+00 -0.183330D+02  0.138885D+02
      2  -0.743177D+00 -0.264391D+01 -0.585048D+01  0.155614D+02 -0.110434D+01
      3  -0.146886D+02 -0.161001D+01  0.527973D+01  0.277160D+01 -0.127841D+02
      4  -0.211363D+02 -0.802670D+01  0.119975D+02  0.223107D+01 -0.258158D+02
      5  -0.639460D+01 -0.153300D+02 -0.241491D+01  0.952810D+01 -0.750863D+01
      6   0.186820D+01  0.939818D+01  0.641636D+01 -0.729181D+01  0.477624D+01
                71            72            73            74            75 
      1  -0.217728D+02  0.172982D+01  0.901346D+01 -0.473175D+01 -0.801222D+01
      2   0.189745D+02 -0.623148D+01 -0.967351D+01  0.291508D+01 -0.158513D+01
      3   0.279833D+01  0.450167D+01  0.660043D+00  0.181667D+01  0.959735D+01
      4   0.543929D+01  0.125959D+02 -0.105800D+02  0.104156D+02  0.104392D+02
      5   0.130092D+02  0.243362D+01 -0.550362D+01  0.587207D+01  0.164598D+01
      6  -0.111167D+02 -0.853591D+00  0.752016D+01 -0.994889D+01 -0.395156D+01
                76            77            78            79            80 
      1   0.980990D+00  0.146748D+02  0.905435D+01 -0.269984D+01  0.477809D+01
      2   0.655498D+00 -0.105031D+02 -0.129194D+02 -0.300798D+01 -0.993223D+01
      3  -0.163649D+01 -0.417175D+01  0.386501D+01  0.570781D+01  0.515414D+01
      4   0.730929D+01 -0.669345D+01 -0.451893D+01  0.618350D+01  0.315049D+00
      5   0.704283D+01 -0.185873D+01 -0.662535D+01 -0.502835D-02 -0.444733D+01
      6  -0.100632D+02 -0.555391D+01  0.965045D+00 -0.125466D+01  0.616936D+00
                81            82            83            84            85 
      1   0.313644D+01 -0.370274D+01 -0.977195D+00  0.688635D+01 -0.395852D+01
      2   0.568718D+01  0.653898D+01  0.139227D+01  0.124081D+01  0.782578D+01
      3  -0.882362D+01 -0.283624D+01 -0.415074D+00 -0.812716D+01 -0.386726D+01
      4  -0.281512D+01 -0.882780D+01  0.310241D+00  0.747033D+01 -0.157905D+01
      5   0.725277D+01  0.807241D+01  0.163402D+01 -0.339801D+01  0.115320D+01
      6  -0.704309D+00  0.788578D+01 -0.161596D+01  0.369692D+01 -0.567720D+00
                86            87            88            89            90 
      1  -0.204621D+02  0.106987D+02  0.394978D+01  0.512522D+01  0.263031D+01
      2   0.211069D+02 -0.170745D+02  0.335927D+01 -0.750102D+01  0.622428D+01
      3  -0.644817D+00  0.637585D+01 -0.730905D+01  0.237580D+01 -0.885459D+01
      4  -0.150618D+01  0.151059D+01  0.723073D+01  0.486184D+00  0.252443D+01
      5  -0.609435D+01  0.102754D+01 -0.199359D+01  0.120911D+00 -0.300653D+01
      6  -0.152220D+02  0.603992D+01  0.331112D+01  0.261249D+01  0.663150D+01
                91            92            93            94            95 
      1  -0.122736D+01 -0.130697D+01 -0.316717D+00  0.496617D+01  0.220834D+02
      2  -0.161224D+00  0.630441D+00 -0.460856D+01 -0.100603D+02 -0.289603D+02
      3   0.138858D+01  0.676529D+00  0.492528D+01  0.509410D+01  0.687690D+01
      4  -0.715848D+01 -0.286362D+01 -0.134991D+02 -0.164746D+01 -0.564371D+01
      5  -0.312810D+01 -0.313809D+01 -0.213764D+01 -0.258955D+01  0.195196D+01
      6  -0.139280D+02 -0.364854D+01 -0.711170D+01 -0.296387D+01  0.321716D+02
                96            97            98            99           100 
      1  -0.174863D+02 -0.184952D+01 -0.238377D+02  0.666099D+01 -0.319793D+01
      2   0.315978D+02 -0.210502D+01  0.363280D+02 -0.111807D+02  0.416236D-01
      3  -0.141115D+02  0.395454D+01 -0.124903D+02  0.451968D+01  0.315631D+01
      4  -0.366390D+01 -0.161002D+02 -0.188179D+01 -0.978855D+01  0.845227D+01
      5   0.567827D+00 -0.251465D+01 -0.191222D+01 -0.485904D+00 -0.726100D+01
      6  -0.115677D+02 -0.101721D+02 -0.161076D+02  0.248541D+01  0.110842D+02
               101           102           103           104           105 
      1  -0.246174D+01 -0.111032D+02 -0.824864D+01  0.145328D+02  0.137432D+02
      2   0.410972D+01  0.993169D+01  0.143237D+02 -0.196588D+02 -0.286630D+02
      3  -0.164798D+01  0.117147D+01 -0.607502D+01  0.512598D+01  0.149198D+02
      4  -0.436151D+01  0.101217D+02 -0.746645D+01  0.149840D+02  0.118325D+02
      5  -0.606056D+00 -0.435327D+01 -0.129604D+01  0.107572D+02  0.131491D+01
      6   0.825061D+01  0.900425D+01  0.874087D+01 -0.290326D+02 -0.929499D+01
               106           107           108           109           110 
      1  -0.147507D+02  0.176859D+02  0.659571D+00 -0.924901D+01  0.311368D+01
      2   0.141072D+02 -0.307656D+02 -0.520825D+01  0.129993D+02 -0.269847D+01
      3   0.643568D+00  0.130797D+02  0.454867D+01 -0.375031D+01 -0.415204D+00
      4   0.102759D+02  0.163057D+02  0.128981D+02  0.368802D+01  0.416334D+01
      5  -0.638074D+01  0.446296D+01  0.157120D+00  0.906982D+01  0.376875D+01
      6   0.127271D+02 -0.122450D+02 -0.251488D+01 -0.367099D+01 -0.642006D+01
               111           112           113           114           115 
      1   0.123267D+02  0.642721D+01 -0.166787D+02 -0.675761D+01  0.838763D+01
      2  -0.605057D+01 -0.949938D+01  0.164258D+02  0.149787D+02 -0.192114D+01
      3  -0.627615D+01  0.307218D+01  0.252999D+00 -0.822114D+01 -0.646649D+01
      4  -0.355162D+01  0.484421D+01 -0.742422D+01 -0.662588D+01 -0.524592D+01
      5  -0.163782D+01  0.398964D+01 -0.901551D+01 -0.300806D+01 -0.826308D+00
      6  -0.572882D+01 -0.525629D+01  0.112774D+02  0.426760D+01 -0.422386D+01
               116           117           118           119           120 
      1  -0.247878D+01  0.411518D+01 -0.401633D+01 -0.719255D+01  0.187499D+01
      2   0.665119D+01  0.474717D+01  0.503323D+01  0.653945D+01 -0.303557D+01
      3  -0.417241D+01 -0.886235D+01 -0.101690D+01  0.653101D+00  0.116059D+01
      4  -0.414313D+01 -0.307880D+01 -0.251605D+01  0.407336D+01  0.585097D-01
      5  -0.103093D+01 -0.120494D+01  0.568208D+00  0.135816D+01  0.699562D+00
      6   0.147979D+01 -0.719399D+01 -0.194367D+01 -0.223160D+01  0.132807D+01
               121           122           123           124           125 
      1  -0.571413D+01 -0.155115D+02  0.674198D+01  0.361391D+01  0.112469D+02
      2   0.133790D+01  0.288267D+02 -0.997101D+01 -0.163078D+01 -0.152098D+02
      3   0.437623D+01 -0.133152D+02  0.322903D+01 -0.198313D+01  0.396294D+01
      4   0.864899D+01 -0.209021D+02  0.545553D+01 -0.237512D+01  0.106015D+02
      5   0.170719D+00  0.670680D+01 -0.644854D+01  0.311932D+01 -0.911739D+01
      6  -0.606977D+00 -0.107578D+02  0.900222D+01 -0.139552D+01  0.125477D+02
               126           127           128           129           130 
      1  -0.642226D+01  0.360244D+02 -0.146133D+02 -0.115971D+02 -0.753792D+01
      2   0.773222D+01 -0.143942D+02  0.154199D+01  0.471617D+01 -0.377503D+01
      3  -0.130996D+01 -0.216303D+02  0.130713D+02  0.688091D+01  0.113130D+02
      4  -0.763342D+01 -0.353423D+02  0.244137D+02  0.147544D+02  0.235123D+02
      5   0.933778D+01 -0.212944D+02  0.119758D+02  0.144638D+02  0.960327D+01
      6  -0.115100D+02  0.112117D+02 -0.718292D+01 -0.725466D+01 -0.801323D+01
               131           132           133           134           135 
      1   0.484613D+01  0.286191D+01 -0.145607D+02  0.702161D+01  0.695204D+01
      2   0.710965D+01  0.116447D+01  0.671621D+01 -0.182162D+01 -0.416662D+01
      3  -0.119558D+02 -0.402638D+01  0.784453D+01 -0.520000D+01 -0.278542D+01
      4  -0.247664D+02 -0.109103D+02  0.212964D+02 -0.168784D+02 -0.164724D+02
      5  -0.958347D+01 -0.766210D+01  0.203865D+02 -0.140151D+02 -0.187446D+02
      6   0.778833D+01  0.789850D+01 -0.117791D+02  0.115658D+02  0.122022D+02
               136           137           138           139           140 
      1   0.230350D+02  0.905688D+01 -0.459663D+01  0.154999D+02  0.772359D+01
      2  -0.133288D+02 -0.479169D+01  0.313265D+01 -0.751532D+01 -0.312620D+01
      3  -0.970620D+01 -0.426519D+01  0.146398D+01 -0.798461D+01 -0.459739D+01
      4   0.808365D+01  0.712602D+01 -0.416956D+01  0.104252D+02  0.184145D+02
      5  -0.556918D+01 -0.430539D+01  0.744738D+01 -0.627487D+01 -0.856906D+01
      6  -0.144216D+01 -0.778473D+00  0.244879D+00 -0.107064D+01 -0.233051D+01
               141           142           143           144           145 
      1  -0.548109D+01 -0.113454D+02 -0.656314D+01  0.835224D+01  0.682899D+02
      2   0.238776D+01  0.714277D+01  0.518058D+01 -0.703914D+01 -0.393504D+02
      3   0.309333D+01  0.420268D+01  0.138256D+01 -0.131310D+01 -0.289395D+02
      4  -0.758966D+01 -0.746462D+01 -0.111247D+02  0.700695D+01 -0.173665D+02
      5   0.800470D+01  0.131257D+02  0.852516D+01 -0.147313D+02  0.305732D+02
      6   0.225047D+01  0.798066D+00  0.252844D+01 -0.146959D+01 -0.656161D+01
               146           147           148           149           150 
      1  -0.698298D+01  0.219380D+02 -0.871486D+01  0.838928D+01 -0.377663D+01
      2   0.292436D+01 -0.142332D+02  0.289376D+01 -0.374722D+01  0.172715D+01
      3   0.405862D+01 -0.770481D+01  0.582110D+01 -0.464206D+01  0.204948D+01
      4   0.101612D+02 -0.649949D+01  0.163579D+02 -0.722884D+01  0.521525D+01
      5  -0.490659D+01  0.186159D+02 -0.599165D+01  0.466678D+01 -0.313973D+01
      6   0.183923D+01 -0.355121D+01  0.410712D+01 -0.198847D+01  0.374884D+01
               151           152           153           154           155 
      1   0.314901D+02 -0.415019D+01  0.178156D+02  0.579802D+01 -0.404601D+01
      2  -0.222799D+02  0.224278D+01 -0.150355D+02  0.224071D+01  0.124717D+02
      3  -0.921023D+01  0.190741D+01 -0.278009D+01 -0.803873D+01 -0.842567D+01
      4  -0.108569D+02  0.446482D+01 -0.569667D+01  0.246138D+02  0.125073D+02
      5   0.288349D+02 -0.339735D+01  0.218685D+02  0.556184D+01  0.196086D+01
      6  -0.564040D+01  0.311537D+01 -0.472103D+01  0.994901D+01  0.444751D+01
               156           157           158           159           160 
      1   0.180227D+01 -0.362243D+01 -0.557547D+01 -0.100364D+01  0.682982D+00
      2   0.156837D+01  0.833394D+01  0.118251D+02  0.161500D+01  0.174891D+01
      3  -0.337064D+01 -0.471151D+01 -0.624966D+01 -0.611356D+00 -0.243189D+01
      4   0.971244D+01  0.734171D+01  0.101498D+02  0.311342D+01  0.150638D+02
      5   0.471732D+01  0.115401D+01  0.181021D+01  0.996802D+00  0.563999D+01
      6   0.876176D+01  0.260249D+01  0.273463D+01  0.500378D+01  0.105842D+02
               161           162           163           164           165 
      1  -0.236406D+01 -0.242447D+01 -0.443032D+01  0.479748D+00  0.105566D+00
      2   0.606440D+01  0.372828D+01  0.824599D+01  0.569189D+00 -0.160665D+00
      3  -0.370034D+01 -0.130381D+01 -0.381567D+01 -0.104894D+01  0.550986D-01
      4   0.743459D+01  0.995934D+01  0.236631D+01  0.138819D+02 -0.393539D+01
      5   0.285294D+01  0.531198D+01 -0.214253D+00 -0.279612D+01  0.308307D+01
      6   0.100389D+02  0.138782D+02 -0.377961D+01 -0.642068D+00  0.111308D+01
               166           167           168           169           170 
      1  -0.252378D+01 -0.428535D+02  0.155428D+02  0.241438D+01  0.242795D+02
      2   0.532661D+01  0.726119D+02 -0.235072D+02 -0.300077D+01 -0.336662D+02
      3  -0.280283D+01 -0.297583D+02  0.796434D+01  0.586391D+00  0.938665D+01
      4   0.897265D+01  0.692260D+01 -0.265019D+01 -0.328376D+01 -0.357424D+01
      5  -0.892947D+00 -0.827517D+00  0.692130D+00  0.260535D+01  0.152773D+01
      6  -0.227665D+01 -0.324497D+02  0.192725D+02  0.377477D+01  0.293295D+02
               171           172           173           174           175 
      1  -0.156402D+02  0.175187D+02  0.131601D+01  0.653088D+01  0.371744D+01
      2   0.184244D+02 -0.638103D+01 -0.844789D+01 -0.312331D+01 -0.712723D+01
      3  -0.278419D+01 -0.111377D+02  0.713188D+01 -0.340757D+01  0.340979D+01
      4   0.344981D+01 -0.260154D+02  0.115442D+02 -0.896231D+01  0.590863D+01
      5  -0.120802D+01  0.872830D+01 -0.135873D+01  0.713164D+01 -0.119898D+00
      6  -0.223145D+02 -0.929396D+01  0.191295D+01 -0.819764D+01  0.360017D+00
               176           177           178           179           180 
      1   0.730817D+00  0.100440D+01  0.835565D+01  0.313908D+00  0.287789D+01
      2   0.238326D+01 -0.723485D+00 -0.506820D+01 -0.327973D+01 -0.157348D+01
      3  -0.311408D+01 -0.280912D+00 -0.328745D+01  0.296582D+01 -0.130441D+01
      4  -0.758581D+01  0.111769D+01 -0.150999D+02  0.486816D+01 -0.101738D+02
      5   0.162992D+01 -0.432916D+00  0.922832D+01 -0.305247D+01  0.866852D+01
      6  -0.109596D+01  0.256867D+01 -0.107917D+02  0.644069D+01 -0.120725D+02
               181           182           183           184           185 
      1  -0.196906D+01  0.589437D+00  0.119812D+01  0.549422D+01 -0.324770D+02
      2   0.841711D+01 -0.777721D+01 -0.327910D+01 -0.144398D+02  0.596374D+02
      3  -0.644805D+01  0.718777D+01  0.208098D+01  0.894559D+01 -0.271604D+02
      4  -0.124428D+02  0.178998D+02  0.639981D+01  0.155310D+02 -0.271729D+02
      5  -0.273473D+01  0.452670D+01  0.456994D+01  0.310080D+01 -0.747643D+01
      6   0.584042D+01 -0.657489D+01 -0.498094D+01 -0.863098D+01  0.289159D+02
               186           187           188           189           190 
      1  -0.117933D+02  0.521108D+01 -0.180352D+02 -0.117326D+02  0.316434D+02
      2   0.194860D+02 -0.816665D+01  0.269695D+02  0.145212D+02 -0.192622D+02
      3  -0.769275D+01  0.295557D+01 -0.893433D+01 -0.278854D+01 -0.123811D+02
      4  -0.106273D+02  0.846419D+01 -0.157250D+02 -0.113730D+02 -0.597583D+00
      5  -0.455318D+01  0.563321D+01 -0.775159D+01 -0.683521D+01 -0.858779D+01
      6   0.177681D+02 -0.999820D+01  0.262803D+02  0.212540D+02 -0.244701D+00
               191           192           193           194           195 
      1  -0.752966D+01 -0.816670D+01 -0.150226D+02  0.902545D+01  0.685706D+01
      2   0.532058D+01  0.595666D+01  0.908675D+01 -0.712103D+01 -0.423832D+01
      3   0.220908D+01  0.221004D+01  0.593581D+01 -0.190442D+01 -0.261874D+01
      4   0.615649D+01  0.285821D+01  0.675268D+01 -0.108726D+02 -0.409663D+01
      5   0.443870D+01  0.913337D+01  0.642383D+01 -0.606411D+01 -0.620705D+01
      6   0.255595D+00  0.156195D+01  0.467429D+00  0.294709D+00  0.563599D+00
               196           197           198           199           200 
      1  -0.162560D+02  0.737248D+01  0.107935D+02  0.493904D+02  0.132421D+02
      2   0.118286D+02 -0.712272D+01 -0.948358D+01 -0.244349D+02 -0.385476D+01
      3   0.442735D+01 -0.249756D+00 -0.130993D+01 -0.249555D+02 -0.938730D+01
      4   0.359122D+01 -0.612028D+01 -0.233378D+01  0.325068D+02  0.173740D+02
      5   0.147298D+02 -0.533434D+01 -0.146666D+02  0.241452D+02  0.956019D+01
      6   0.239705D+01  0.929206D+00 -0.232752D+01  0.113048D+02  0.517604D+01
               201           202           203           204           205 
      1   0.156573D+02  0.118046D+02  0.751758D+01  0.499093D+01  0.215567D+02
      2  -0.872632D+01 -0.664376D+00  0.110937D+01 -0.105865D+01 -0.131322D+02
      3  -0.693098D+01 -0.111403D+02 -0.862695D+01 -0.393228D+01 -0.842452D+01
      4   0.125691D+02  0.231769D+02  0.183037D+02  0.938551D+01  0.205317D+02
      5   0.160118D+02  0.100182D+02  0.776044D+01  0.634715D+01  0.249531D+02
      6   0.676773D+01  0.763969D+01  0.589840D+01  0.634518D+01  0.113623D+02
               206           207           208           209           210 
      1   0.725725D+01  0.128962D+02 -0.714503D+01  0.842794D+01  0.365429D+01
      2  -0.307259D+01 -0.101155D+02  0.770657D+01 -0.111261D+02 -0.559509D+01
      3  -0.418466D+01 -0.278072D+01 -0.561543D+00  0.269819D+01  0.194080D+01
      4   0.110332D+02  0.130201D+02 -0.354697D+01  0.405479D+01  0.966437D+00
      5   0.912386D+01  0.199420D+02  0.491350D+00 -0.160292D+01 -0.195722D-01
      6   0.698751D+01  0.101075D+02  0.345592D+01 -0.476057D+01 -0.368800D+01
               211           212           213           214           215 
      1   0.513240D+01 -0.204450D+02 -0.767677D+01  0.578478D+01 -0.137374D+02
      2  -0.411208D+01  0.341755D+02  0.104925D+02 -0.487115D+01  0.180708D+02
      3  -0.102032D+01 -0.137305D+02 -0.281572D+01 -0.913631D+00 -0.433347D+01
      4   0.637310D+01  0.108023D+02  0.930168D+00  0.255028D+01  0.351084D+01
      5  -0.866430D+00  0.333743D+01  0.407764D+01  0.114924D+01  0.614344D+01
      6  -0.289230D+01  0.106988D+02  0.973212D+01 -0.158646D+01  0.145271D+02
               216           217           218           219           220 
      1  -0.926544D+01  0.146098D+02  0.729037D+01 -0.384864D+01  0.145862D+01
      2   0.105804D+02  0.402566D+00  0.658625D+01 -0.178022D+01  0.106537D+02
      3  -0.131500D+01 -0.150123D+02 -0.138766D+02  0.562886D+01 -0.121123D+02
      4   0.318963D+01  0.302788D+02  0.276678D+02 -0.137880D+02  0.238285D+02
      5   0.611613D+01 -0.128957D+02 -0.112311D+02  0.103764D+02 -0.872232D+01
      6   0.135080D+02 -0.108924D+02 -0.102357D+02  0.790653D+01 -0.104246D+02
               221           222           223           224           225 
      1  -0.638123D+01  0.168529D+01 -0.310880D+01  0.108936D+01 -0.186602D+01
      2   0.249477D+02 -0.732557D+01 -0.315877D+01 -0.811076D+01  0.465073D+01
      3  -0.185665D+02  0.564028D+01  0.626757D+01  0.702140D+01 -0.278471D+01
      4   0.338999D+02 -0.138722D+02 -0.187092D+02 -0.223599D+02  0.170783D+02
      5  -0.121418D+02  0.831479D+01  0.134745D+02  0.145213D+02 -0.150288D+02
      6  -0.153281D+02  0.119893D+02  0.122761D+02  0.184739D+02 -0.165628D+02
               226           227           228           229           230 
      1  -0.600552D+01  0.977882D+01 -0.719675D+01  0.634783D+01 -0.140955D+02
      2   0.512272D+01 -0.936569D+01  0.451318D+01 -0.522679D+01  0.179972D+02
      3   0.882804D+00 -0.413133D+00  0.268357D+01 -0.112104D+01 -0.390173D+01
      4  -0.100385D+02  0.273630D+01 -0.236215D+01  0.730652D+01 -0.458957D+01
      5   0.338404D+01 -0.225231D+01  0.150826D+01 -0.160721D+01  0.211702D+01
      6  -0.461108D+01  0.121964D+02 -0.877074D+01  0.556006D+01 -0.135511D+02
               231           232           233           234           235 
      1   0.818538D+01 -0.272786D+01  0.580405D+01 -0.748773D+01  0.160510D+01
      2  -0.681021D+01  0.145584D+01 -0.245208D+01  0.148485D+01 -0.505528D+01
      3  -0.137517D+01  0.127201D+01 -0.335197D+01  0.600288D+01  0.345018D+01
      4   0.343241D+01 -0.132994D+01  0.402417D+01 -0.325076D+01  0.272924D+01
      5  -0.478756D+00  0.203802D+01 -0.106383D+01  0.346735D+00 -0.629921D+01
      6   0.976715D+01 -0.438095D+01  0.753042D+01 -0.901920D+01 -0.216929D+01
               236           237           238           239           240 
      1   0.252920D+00 -0.585887D+00 -0.350920D+00 -0.697473D-01 -0.130590D+01
      2   0.704575D+00  0.710549D+01  0.155648D+01 -0.384664D+01 -0.616023D+01
      3  -0.957495D+00 -0.651960D+01 -0.120556D+01  0.391638D+01  0.746613D+01
      4   0.255932D+01 -0.153486D+01 -0.223280D+01 -0.602467D+01  0.918720D+00
      5  -0.394481D+00  0.934695D+01  0.232541D+01 -0.527445D-01 -0.465251D+01
      6  -0.219945D+00  0.327608D+01  0.198742D+01  0.265196D+01 -0.432481D+00
               241           242           243           244           245 
      1   0.564448D+00  0.233731D+01 -0.111775D+02  0.105084D+02 -0.377208D+01
      2   0.521266D+01 -0.253380D+01 -0.182691D+02 -0.656419D+01  0.357168D+01
      3  -0.577711D+01  0.196490D+00  0.294466D+02 -0.394420D+01  0.200398D+00
      4  -0.335740D+01 -0.310908D+01  0.338797D+00 -0.786408D+01  0.825278D+01
      5   0.714959D+01  0.863475D+00 -0.162517D+02  0.773795D+01 -0.609239D+01
      6   0.279860D+01  0.480602D+01 -0.136159D+02 -0.338877D+01  0.272796D+01
               246           247           248           249           250 
      1   0.318551D+01 -0.973115D+01  0.206502D+01 -0.345648D+01 -0.306741D+00
      2  -0.381745D+01  0.881863D+01 -0.301048D+01  0.641312D+01 -0.259069D+01
      3   0.631935D+00  0.912524D+00  0.945457D+00 -0.295664D+01  0.289743D+01
      4  -0.519485D+01  0.622537D+01 -0.157267D+02  0.662390D+01 -0.479413D+01
      5   0.682224D+01 -0.123341D+02  0.827154D+01 -0.102318D+02  0.574988D+01
      6  -0.194554D+01  0.509727D+01 -0.671264D+01  0.443725D+01 -0.208402D+01
               251           252           253           254           255 
      1  -0.402592D+00 -0.806820D+00 -0.582214D+01  0.100351D+01  0.362054D+01
      2   0.251410D+01 -0.520340D+01  0.250820D+01  0.168885D+00  0.183925D+01
      3  -0.211151D+01  0.601022D+01  0.331394D+01 -0.117239D+01 -0.545978D+01
      4   0.360701D+01 -0.508097D+01 -0.372955D+01 -0.278311D+00 -0.109761D+01
      5  -0.539996D+01  0.860668D+01 -0.267845D+01 -0.774655D+00 -0.110173D+00
      6   0.381130D+01 -0.272869D+01  0.715596D+00 -0.400892D+00 -0.205965D+01
               256           257           258           259           260 
      1   0.271698D+01 -0.402691D+01 -0.699766D+01  0.278838D+01 -0.406440D+01
      2  -0.177167D+01 -0.448130D-02 -0.126739D+01 -0.413667D+01 -0.157285D+01
      3  -0.945309D+00  0.403139D+01  0.826505D+01  0.134829D+01  0.563726D+01
      4   0.423123D+01  0.357134D+01  0.369746D+01  0.244744D+01  0.354090D+01
      5   0.208179D+01  0.388143D+01  0.586710D+01  0.590482D+01  0.315412D+01
      6   0.162185D+01  0.553040D+01  0.902095D+01  0.121419D+01  0.606402D+01
               261           262           263           264           265 
      1  -0.176193D+02  0.200016D+02  0.351544D+01 -0.703933D+01  0.180144D+01
      2  -0.118595D+02 -0.179434D+02 -0.631781D+01  0.956797D+01 -0.389337D+01
      3   0.294788D+02 -0.205821D+01  0.280237D+01 -0.252864D+01  0.209193D+01
      4   0.211350D+01 -0.122010D+02  0.582264D+01  0.606520D+01  0.259628D+00
      5   0.174340D+02 -0.185030D+02  0.177551D+01  0.116937D+02 -0.429230D+01
      6   0.120897D+02  0.592507D+01 -0.239729D+01 -0.539938D+01  0.357755D+00
               266           267           268           269           270 
      1   0.501947D+01 -0.129952D+00 -0.414213D+01  0.588303D+00  0.205303D+01
      2  -0.404181D+01  0.176614D+01  0.767474D+01 -0.116187D+01 -0.804591D+01
      3  -0.977668D+00 -0.163618D+01 -0.353261D+01  0.573564D+00  0.599288D+01
      4   0.860092D+00  0.988859D+00  0.190543D+01  0.211142D+00 -0.224546D+01
      5   0.485776D-01  0.288352D+01  0.850398D+01  0.653684D+00 -0.797831D+01
      6  -0.164166D+01 -0.436605D+00 -0.266245D+01  0.104808D+01  0.418833D+01
               271           272           273           274           275 
      1  -0.296003D+00 -0.616985D+01 -0.821697D+01 -0.153497D+01 -0.314544D+01
      2  -0.442977D+01  0.571325D+01 -0.149003D+01  0.131794D+01  0.517935D+00
      3   0.472577D+01  0.456600D+00  0.970699D+01  0.217029D+00  0.262751D+01
      4   0.438074D+01 -0.194046D+01  0.268908D+01 -0.169598D+00  0.178581D+01
      5   0.181290D+01 -0.878687D+00  0.259595D+01 -0.321389D+00  0.177176D+01
      6   0.177084D+01  0.574687D+01  0.854298D+01  0.229310D+01  0.348634D+01
               276           277           278           279           280 
      1  -0.278153D+01 -0.227150D+01 -0.672856D+01 -0.168232D+02  0.129350D+02
      2   0.847389D+00 -0.771995D+00  0.180476D+01 -0.126533D+02 -0.121492D+02
      3   0.193414D+01  0.304349D+01  0.492380D+01  0.294765D+02 -0.785786D+00
      4   0.139634D+01  0.333202D+01 -0.155261D+01  0.288733D+01  0.183817D+02
      5   0.606890D+00  0.380841D+01 -0.884119D+00 -0.370091D+01 -0.160722D+02
      6   0.632556D+01  0.105401D+01  0.817343D+01  0.209094D+02 -0.931734D+01
               281           282           283           284           285 
      1  -0.362691D+01 -0.276110D+01  0.567103D+00  0.347526D+01 -0.120879D+01
      2   0.637685D+01  0.562494D+01  0.147340D+01 -0.122410D+01  0.276234D+00
      3  -0.274993D+01 -0.286384D+01 -0.204050D+01 -0.225116D+01  0.932552D+00
      4   0.709865D+01 -0.938637D+01  0.326092D+01  0.302823D+01 -0.109397D+01
      5  -0.522574D+01  0.102999D+02 -0.568498D-01 -0.678493D+00 -0.603109D-01
      6  -0.564306D+01  0.821116D+01 -0.143334D+01  0.486482D+00  0.967919D+00
               286           287           288           289           290 
      1  -0.222043D+01 -0.118060D+01  0.301034D+00 -0.572786D+00  0.671929D+01
      2   0.548854D+01  0.263429D+01 -0.628894D+01 -0.419122D+01 -0.681798D+01
      3  -0.326810D+01 -0.145368D+01  0.598791D+01  0.476401D+01  0.986929D-01
      4  -0.434754D+01 -0.139482D+01  0.444361D+01 -0.322376D+01  0.101744D+01
      5   0.752892D+01  0.105660D+01 -0.665623D+01  0.243284D+01 -0.654073D+00
      6   0.436942D+01  0.202945D+01 -0.608316D+01 -0.334553D+01  0.566935D+01
               291           292           293           294           295 
      1  -0.672477D+01  0.180953D+01  0.106774D+00  0.143444D+00 -0.229275D+01
      2  -0.315134D+01 -0.214731D+01 -0.269132D+01 -0.747836D+00 -0.190370D+01
      3   0.987611D+01  0.337783D+00  0.258454D+01  0.604392D+00  0.419645D+01
      4  -0.440537D+01  0.336167D+00 -0.204096D+01  0.101832D+01 -0.335480D+01
      5   0.507701D+01 -0.324513D+00  0.235446D+01 -0.944141D+00  0.412392D+01
      6  -0.885607D+01  0.219411D+01 -0.810204D+00  0.381478D+01 -0.212292D+01
               296           297           298           299           300 
      1   0.654938D+01 -0.151309D+02  0.365679D+01  0.179826D+01  0.296570D+00
      2  -0.256790D+01 -0.143425D+02 -0.299081D+00 -0.472157D+00 -0.150354D+00
      3  -0.398148D+01  0.294734D+02 -0.335771D+01 -0.132611D+01 -0.146216D+00
      4  -0.115903D+00 -0.354577D+01  0.663723D+01  0.680772D+01  0.397485D+01
      5  -0.192734D+00  0.173576D+01  0.273152D+01  0.427298D+01  0.369111D+01
      6   0.783278D+01 -0.211363D+02  0.246983D+01  0.257106D+01  0.173967D+01
               301           302           303           304           305 
      1   0.798364D+01 -0.409971D+01 -0.378698D+00 -0.230794D+01 -0.221682D+01
      2  -0.595711D+01  0.372462D+01 -0.264824D+01  0.437801D-01 -0.568919D+00
      3  -0.202653D+01  0.375096D+00  0.302694D+01  0.226416D+01  0.278574D+01
      4   0.779893D+01  0.193338D+02  0.951839D+01  0.360091D+01  0.494349D+01
      5   0.969333D+01  0.102060D+02  0.100394D+02  0.379819D+01  0.539730D+01
      6   0.644763D+01  0.113847D+02  0.759721D+01  0.208083D+01  0.578142D+01
               306           307           308           309           310 
      1  -0.359306D+01 -0.547524D+01 -0.173840D+01  0.165053D+01 -0.539886D+01
      2  -0.243183D+01  0.262473D+01  0.872005D+00  0.152733D+01  0.477929D+01
      3   0.602489D+01  0.285051D+01  0.866397D+00 -0.317787D+01  0.619576D+00
      4   0.550830D+01  0.334402D+00  0.712902D+00  0.164970D+00  0.374572D+01
      5   0.764543D+01 -0.152341D+01 -0.909387D+00  0.142571D+01 -0.418340D+01
      6   0.482899D+01 -0.177950D+01  0.474998D+00  0.762421D-01  0.172775D+01
               311           312           313           314           315 
      1  -0.366009D+01  0.542202D+01  0.289477D+01  0.300184D+01 -0.162028D+02
      2  -0.849087D+00  0.397189D+01 -0.562799D+01  0.211954D+01 -0.132499D+02
      3   0.450917D+01 -0.939391D+01  0.273322D+01 -0.512138D+01  0.294527D+02
      4  -0.323239D+01  0.483105D+01 -0.137420D+01  0.346807D+01 -0.325952D+01
      5   0.428736D+01 -0.787368D+01  0.699466D+01 -0.291191D+01  0.199218D+02
      6  -0.398143D+01  0.751852D+01 -0.964521D+00  0.498682D+01 -0.728719D+01
               316           317           318           319           320 
      1  -0.579261D+01 -0.767010D+01 -0.510001D+01 -0.696943D+01 -0.186860D+02
      2   0.559957D+01  0.618476D+01  0.285058D+01  0.477505D+01  0.218809D+02
      3   0.193046D+00  0.148534D+01  0.224943D+01  0.219438D+01 -0.319490D+01
      4   0.511764D+01  0.488383D-01 -0.628867D+00  0.588390D+01 -0.293452D+01
      5   0.208033D+01 -0.150984D-01 -0.230086D+00  0.104956D+01 -0.135618D+01
      6   0.137459D+01  0.916245D+01  0.615960D+01  0.257530D+01  0.175624D+02
               321           322           323           324           325 
      1  -0.105532D+02 -0.116355D+01 -0.780965D+01 -0.852297D+01  0.221478D+01
      2   0.852040D+01  0.781027D+00  0.424064D+01  0.250410D+01 -0.515515D+01
      3   0.203282D+01  0.382520D+00  0.356901D+01  0.601887D+01  0.294037D+01
      4  -0.881793D+00 -0.245725D+00  0.146896D+01  0.627975D+00 -0.498900D+00
      5  -0.214539D+01  0.105794D+01 -0.639498D+00 -0.195398D+01 -0.561151D+01
      6   0.115283D+02  0.268111D+01  0.853327D+01  0.883814D+01 -0.623533D-02
               326           327           328           329           330 
      1  -0.926236D-01 -0.110774D+01  0.276707D+01 -0.295254D+01  0.907376D+00
      2  -0.629329D+00  0.553230D+01 -0.372604D+01 -0.145897D+01  0.796556D+01
      3   0.721953D+00 -0.442457D+01  0.958968D+00  0.441151D+01 -0.887294D+01
      4   0.589313D+00 -0.444622D+00 -0.323329D+01  0.594845D+01 -0.513620D+00
      5  -0.121109D+01  0.839053D+01 -0.440237D+01 -0.410361D+00  0.698333D+01
      6   0.564260D+00 -0.955338D+00  0.201491D+01 -0.208724D+01  0.532568D+00
               331           332           333 
      1  -0.624990D+00 -0.670739D+00 -0.114592D+02
      2   0.618132D+01  0.233126D+01 -0.180004D+02
      3  -0.555633D+01 -0.166052D+01  0.294596D+02
      4   0.270873D+01 -0.331774D+01  0.144538D+01
      5   0.791884D+01 -0.455278D-01 -0.191959D+02
      6  -0.198854D+01  0.405462D+01  0.902492D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.333374D-03      0.847352D-03      0.282646D-02
   x          0.157039D-03      0.399154D-03      0.133143D-02
   y          0.284774D-03      0.723822D-03      0.241441D-02
   z         -0.733540D-04     -0.186447D-03     -0.621921D-03

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139419D+03      0.206598D+02      0.229871D+02
   aniso      0.336238D+02      0.498254D+01      0.554382D+01
   xx         0.150650D+03      0.223241D+02      0.248389D+02
   yx        -0.245137D-02     -0.363255D-03     -0.404176D-03
   yy         0.150603D+03      0.223171D+02      0.248311D+02
   zx         0.166888D-03      0.247302D-04      0.275160D-04
   zy         0.306928D-02      0.454821D-03      0.506056D-03
   zz         0.117003D+03      0.173381D+02      0.192912D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.146575D+03      0.217201D+02      0.241669D+02
   aniso      0.365817D+02      0.542086D+01      0.603151D+01
   xx         0.158796D+03      0.235311D+02      0.261819D+02
   yx        -0.346001D-02     -0.512720D-03     -0.570478D-03
   yy         0.158741D+03      0.235231D+02      0.261729D+02
   zx        -0.135859D-03     -0.201322D-04     -0.224001D-04
   zy         0.384220D-02      0.569355D-03      0.633493D-03
   zz         0.122187D+03      0.181062D+02      0.201459D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.18798152         -0.00184275         -5.51146243
     6         -3.72640228         -0.19923533         -4.22563861
     7         -3.52290181          0.97941785         -1.64512882
    45          0.00040412          0.00028466         -0.00035158
     7          0.78649380         -1.08984591         -3.77735185
     7          3.70039698         -0.79903629          1.32048079
     6          5.13301939          1.63404133          1.66271549
     6          4.48954954          3.37305603         -0.50471234
     7          1.65866978          3.58767711         -0.67680213
     7         -1.14831049          0.90113696          3.73324954
     6         -1.68879245         -1.49585121          5.16549533
     6         -3.02196561         -3.31186299          3.41598836
     7         -1.47368787         -3.57909706          1.04501489
     1          5.18220702          2.62486591         -2.29564746
     1          5.33815209          5.23337163         -0.24746241
     1          4.57622572          2.45310707          3.47003126
     1          7.15942615          1.26976940          1.75233530
     1          0.10717198         -2.26770413          5.81811457
     1         -2.82767459         -1.09528283          6.83569427
     1         -4.88466663         -2.60791404          2.88487667
     1         -3.29210255         -5.14884561          4.31018309
     1         -4.29222612         -2.16622872         -3.98522884
     1         -5.19725764          0.73208870         -5.32847890
     1         -0.69154590          1.96204175         -5.89037040
     1         -1.18590047         -0.99472601         -7.31735772
     1          2.52699870         -0.57449175         -4.42282341
     1          0.76120691         -3.01075989         -3.94159914
     1         -5.06716645          0.47209746         -0.61098411
     1         -3.67271322          2.89307837         -1.82699598
     1         -2.55138757         -4.43507703         -0.30312001
     1         -0.04149736         -4.82583242          1.37987212
     1          0.11729899          1.94945706          4.73863608
     1         -2.74840985          1.97650095          3.70375727
     1          3.77284177         -1.79554131          2.96768836
     1          4.64633062         -1.89861806          0.05008711
     1          1.20129795          4.38386451         -2.37043365
     1          1.05598405          4.86633085          0.63452049

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.333374D-03      0.847352D-03      0.282646D-02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.333374D-03      0.847352D-03      0.282646D-02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139419D+03      0.206598D+02      0.229871D+02
   aniso      0.336238D+02      0.498254D+01      0.554382D+01
   xx         0.143180D+03      0.212170D+02      0.236071D+02
   yx         0.135343D+02      0.200558D+01      0.223151D+01
   yy         0.126093D+03      0.186851D+02      0.207900D+02
   zx         0.350097D+01      0.518790D+00      0.577232D+00
   zy        -0.631037D+01     -0.935100D+00     -0.104044D+01
   zz         0.148984D+03      0.220771D+02      0.245641D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.146575D+03      0.217201D+02      0.241669D+02
   aniso      0.365817D+02      0.542086D+01      0.603151D+01
   xx         0.150667D+03      0.223265D+02      0.248416D+02
   yx         0.147257D+02      0.218212D+01      0.242794D+01
   yy         0.132078D+03      0.195719D+02      0.217766D+02
   zx         0.380967D+01      0.564536D+00      0.628131D+00
   zy        -0.686505D+01     -0.101729D+01     -0.113189D+01
   zz         0.156979D+03      0.232620D+02      0.258824D+02

 ----------------------------------------------------------------------
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 THE NUMBERS ARE MEANINGLESS, BUT THE TRENDS ARE IMPORTANT.
     -- LARRY BURGGRAF
 Job cpu time:       1 days  6 hours 34 minutes 38.4 seconds.
 Elapsed time:       0 days  3 hours 49 minutes 58.3 seconds.
 File lengths (MBytes):  RWF=   1267 Int=      0 D2E=      0 Chk=     39 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 23 00:30:42 2021.
